ScienceIP SearchTip MARPATMatchLevelANY

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1 Mak the Most of Match Level ANY e ® Database in CAS MARPAT ® , S earch Service . he CAS Science IP T CAS MARPAT database contains searchable Markush structures indexed from the claims T he of patents and patent applications. Frequently , a Markush structure is the first and disclosure s You can retrieve disclosure of a compound. a patent or patent application in a MARPAT broad Markush structure, if the falls within a specific compound regardless of whether search a specific compound S tructure search ing in MARPAT often retrieve s was synthesized or not . found in other structure - searchable databases additional references not . These additional references matters relating to patentabi lity, freedom - to - operate and validity. can help with To effective MARPAT, set the match level to retrieve the desired types of hits. ly search in shows three options for MARPAT match level s. Table I I . Options for match le vel settings in MARPAT Table Specificity Match level Description Specific M ATOM ost specific CLASS Specific or generic I ntermediate ANY Specific, generic or with a text descriptor M ost broad search example demonstrates how using match level ANY, broadest MARPAT setting , This the retrieve Match level ANY groups or nodes indexed can retrieve additional answers. s especially useful for substituents and specifically, generically or with a text descriptor, and is ® setting when building a structure query in STN Express linking groups. You can s elect this . include Text descriptors :  O ptionally substituted Electron withdrawing group ● ● otecting group Pr  L eaving group ● R, where R = group or non - structurally described substituent For example : s earch for a specific drug with a chloro - phenyl moiety with match level ANY applied to the chloro group. For the chloro group, results retrieve chloro, halo, R (which can or text (e.g., optionally substituted) . may be or may not be defined) Patent c laims in Markush s t ructures can cover link ing groups specifically by structure (i.e., ), which may amides, alkylene oxy - alkylene ) or in a generic way (e.g., any linking group s, linking group appear as or text ( e.g. “ R ” ) .

2 patent publications containing Z olpidem. Example: Search for => FILE MARPAT => UPLOADING ZOLPIDEM BROAD.STR L1 STRUCTURE UPLOADED ISPLAY => D QUE L1 STR N N ZOLPIDEM BROAD.STR Match Level Setting Group or Node O Methyl and methylene groups ( ) ANY N ATOM Imidazaopyridine ring CLASS All other nodes S L1 CSS FULL EARCH => 4351 TO ITERATE - FULL SCREEN SEARCH COMPLETED 100% PROCESSED 4351 ITERATIONS 25 ANSWERS L2 25 SEA CSS FUL L1 => UPLOADING ZOLPIDEM NARROW.STR L3 STRUCTURE UPLOADED => D QUE L3 STR N N ZOLPIDEM NARROW.STR Match Level Setting Group or Node O ATOM Imidazaopyridine ring N CLASS All other nodes => S L3 CSS FULL FULL SCREEN SEARCH COMPLETED - 3513 TO ITERATE 100% PROCESSED 3513 ITERATIONS 21 ANSWERS L4 21 SEA CSS FUL L3 => S L2 NOT L4 L5 4 L2 NOT L4 In the example, we uploaded two structures differing only by their match level settings. ZOLPIDEM BROAD.STR match level settings (listed above) retrieved 25 hits in a closed substructure search. A similar query ( ZOLPIDEM NARROW.STR ) with the methyl and methyl ene groups set to match level CLASS retrieved 21 hits in a closed substructure search.

3 on the methyl and methylene groups , retrieved four additional Thus, u level ANY sing match hits than using a closed substructure search with match level CLASS. QHIT L 5 1 => DISPLAY Analyze results more easily using the new MARPAT . QHIT , assembled display format L5 ANSWER 1 OF 4 MARPAT COPYRIGHT 2012 ACS on STN MSTR 1 Assembled Use the SET MPTASSEMBLY command to control answer assembly in the FQHITEXG and QHITEXG , FQHIT , QHIT 0 1 3 6 (default), formats. The options are ON 3 0 3 5 1 0 8 1 Answer assembly often OFF or BOTH. N 3 0 3 1 provides an easier to interpret view of 3 N 2 0 1 the Markush reorientations in results. e M R option will provide the new The BOTH assembled view as well as the classic O MARPAT display for each answer. R 5 0 2 0 H C C N H 2 2 1302, 1303, 1305, 1306, 1308: opt. substd. ubstd. 2050: opt. s Patent location: claim 1 Note: substitution is restricted Note: additional substitution also claimed Note: or pharmaceutically acceptable salts By including match level ANY to the methyl and methylene groups, we retrieved the p - methyl group and two N - methyl substituents (on the amide group), all indexed as optionally opt. substd. ( substituted ). STN provides access to key science, technology and p atent databases, and is the premier single source for the world’s disclosed scientific and technical research. MARPAT database on STN can ® ® SM on the Web STN and . To find out more information about be accessed through STN Express contact CAS Customer Center or r match level settings, please MARPAT database or othe the MARPAT USER GUIDE at: refer to the . http://www.cas.org/support/stngen/stndoc/marpat.html ® is search example was provided by Science IP Note: Th , the CAS Search Service .

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