⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL31512525 | 1.00 | DRD3 (0.39) | — | |
| SCHEMBL27448351 | 0.97 | — | — | |
| SCHEMBL1352840 | 0.97 | — | — | |
| SCHEMBL871135 | 0.91 | — | — | |
| SCHEMBL10881206 | 0.84 | DRD3 (0.43) | — | |
| SCHEMBL14824034 | 0.72 | — | — | |
| SCHEMBL12019294 | 0.72 | — | — | |
| SCHEMBL16098570 | 0.71 | — | — | |
| SCHEMBL16098571 | 0.71 | — | — | |
| SCHEMBL8083446 | 0.71 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 88 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103254190-A | Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as janus kinase inhibitors | INCYTE CORP | 2013-08-21 | — | — | CN | claimed |
| CN-103214483-A | Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as janus kinase inhibitors | INCYTE CORP | 2013-07-24 | — | — | CN | claimed |
| CN-103214484-A | Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as janus kinase inhibitors | INCYTE CORP A DELAWARE CORP | 2013-07-24 | — | — | CN | claimed |
| CN-101448826-A | Heteroaryl substituted pyrrolo [2 ] as janus kinase inhibitors | INCYTE CORP (US) | 2009-06-03 | — | — | CN | claimed |
| US-7276637-B2 | Synthesis of cyclohexanone derivatives | MERCK SHARP & DOHME LIMITED (GB) | 2007-10-02 | — | — | US | claimed |
| US-20050222456-A1 | Synthesis of cyclohexanone derivatives | MERCK SHARP & DOHME LTD. (GB) | 2005-10-06 | — | — | US | claimed |
| WO-2004013090-A1 | SYNTHESIS OF CYCLOHEXANONE DERIVATIVES | MERCK SHARP & DOHME LIMITED (GB) | 2004-02-12 | — | — | WO | claimed |
| US-4009209-A | DIMERIZATION OF CYCLOHEXYLIDENE-ACETONITRILE AND HYDROGENATION OF THE RESULTING SUBSTITUTED GLUTARIC ACID DINITRILE | HOECHST AKTIENGESELLSCHAFT (DT) | 1977-02-22 | — | — | US | claimed |
| EP-2976339-B1 | GEMINALLY SUBSTITUTED CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS | MERCK SHARP & DOHME (US) | 2018-06-27 | — | — | EP | disclosed |
| US-9957264-B2 | Geminally substituted cyanoethylpyrazolo pyridones as Janus kinase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2018-05-01 | — | — | US | disclosed |
| US-9957264-B2 | Geminally substituted cyanoethylpyrazolo pyridones as Janus kinase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2018-05-01 | — | — | US | disclosed |
| US-20170240567-A1 | ETHYL N-BOC PIPERIDINYL PYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2017-08-24 | — | — | US | disclosed |
| CN-105189498-B | Geminally substituted cyanoethylpyrazolopyridinones as JANUS kinase inhibitors | 默沙东公司 | 2017-06-27 | — | — | CN | disclosed |
| US-20160272632-A1 | GEMINALLY SUBSTITUTED CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2016-09-22 | — | — | US | disclosed |
| US-4209539-A | HYDRATION OF TOXIC CYANO GROUPS TO AMIDE | ANVER BIOSCIENCE DESIGN, INC. (US) | 1980-06-24 | — | — | US | disclosed |
| EP-0004624-A2 | Chromanon derivatives, process for their preparation, and their use as medicines and growth-promoting agents | BAYER AG (DE) | 1979-10-17 | — | — | EP | disclosed |
| US-4009209-A | DIMERIZATION OF CYCLOHEXYLIDENE-ACETONITRILE AND HYDROGENATION OF THE RESULTING SUBSTITUTED GLUTARIC ACID DINITRILE | HOECHST AKTIENGESELLSCHAFT (DT) | 1977-02-22 | — | — | US | disclosed |
| US-4009209-A | DIMERIZATION OF CYCLOHEXYLIDENE-ACETONITRILE AND HYDROGENATION OF THE RESULTING SUBSTITUTED GLUTARIC ACID DINITRILE | HOECHST AKTIENGESELLSCHAFT (DT) | 1977-02-22 | — | — | US | disclosed |
| US-3960923-A | FROM KETONES AND ACETONITRILE, PERFUMES | RHODIA, INC. (US) | 1976-06-01 | — | — | US | disclosed |
| US-3835178-A | PROCESS FOR THE PRODUCTION OF MIXTURES CONSISTING OF BENZYL CYANIDE AND {62 -PHENYLETHYLAMINE | HOECHST AG | 1974-09-10 | — | — | US | disclosed |