⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL828010 | 0.83 | CES2 (0.54) | — | |
| SCHEMBL22721318 | 0.82 | CES1 (0.62) | — | |
| SCHEMBL15988683 | 0.82 | CES2 (0.62) | — | |
| SCHEMBL4267362 | 0.80 | HSD17B3 (0.55) | — | |
| SCHEMBL6621764 | 0.80 | — | — | |
| SCHEMBL3041357 | 0.79 | CES2 (0.54) | — | |
| SCHEMBL12670300 | 0.79 | SMN1; SMN2 (0.59) | — | |
| SCHEMBL3466309 | 0.79 | HSD17B3 (0.56) | — | |
| SCHEMBL2264496 | 0.78 | — | — | |
| SCHEMBL4771815 | 0.78 | — | — |
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 85 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106883926-B | Peanut oil and preparation method thereof | 丰益(上海)生物技术研发中心有限公司 | 2021-03-02 | — | — | CN | disclosed |
| CN-106458964-B | The salt of halogen substituted heterocyclic compound | 宇部兴产株式会社 | 2019-11-22 | — | — | CN | disclosed |
| CN-110183449-A | Mnk inhibitors and methods related thereto | 效应治疗股份有限公司 | 2019-08-30 | — | — | CN | disclosed |
| CN-106795162-B | Mnk inhibitors and methods related thereto | 效应治疗股份有限公司 | 2019-07-16 | — | — | CN | disclosed |
| CN-107207505-B | Treat and prevent hepatitis b virus infected 2- oxo -6,7- dihydrobenzo [a] quinolizine -3- formic acid derivates | 豪夫迈·罗氏有限公司 | 2018-12-14 | — | — | CN | disclosed |
| EP-3107952-B1 | METHOD FOR THE GENERATION OF CHEMICAL LIBRARIES | ETH ZUERICH (CH) | 2018-09-26 | — | — | EP | disclosed |
| CN-107698555-A | Halogen-substituted heterocyclic compounds | 宇部兴产株式会社 | 2018-02-16 | — | — | CN | disclosed |
| CN-105164125-B | 2-phenyl or 2-heteroaryl imidazo [1,2-a ] pyridine derivatives | 豪夫迈·罗氏有限公司 | 2017-10-13 | — | — | CN | disclosed |
| CN-104884447-B | Halogen-substituted heterocyclic compounds | 宇部兴产株式会社 | 2017-10-10 | — | — | CN | disclosed |
| CN-105229009-B | 2-phenylimidazo [1,2-A ] pyrimidines as imaging agents | 豪夫迈·罗氏有限公司 | 2017-09-29 | — | — | CN | disclosed |
| US-20050176762-A1 | Quinoline-4-carboxamide derivatives as NK-3 and NK-2 receptor antagonists | GLAXOSMITHKLINE SPA | 2005-08-11 | — | — | US | disclosed |
| US-20040180902-A1 | 3-Substituted quinoline-4-carboxamide derivatives as nk-3 and nk-2 receptor antagonists | SMITHKLINE BEECHAM S.P.A. (IT) | 2004-09-16 | — | — | US | disclosed |
| US-20040152726-A1 | Quinoline-4-carboxamide derivatives as nk-3 and nk-2 receptor antagonists | SMITHKLINE BEECHAM S.P.A. (IT) | 2004-08-05 | — | — | US | disclosed |
| EP-1385839-A1 | 3-SUBSTITUTED QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 AND NK-2 RECEPTOR ANTAGONISTS | GlaxoSmithKline S.p.A. (IT) | 2004-02-04 | — | — | EP | disclosed |
| EP-1377567-A1 | QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 AND NK-2 RECEPTOR ANTAGONISTS | GlaxoSmithKline S.p.A. (IT) | 2004-01-07 | — | — | EP | disclosed |
| WO-2002083663-A1 | QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 AND NK-2 RECEPTOR ANTAGONISTS | GLAXOSMITHKLINE S.P.A. (IT) | 2002-10-24 | — | — | WO | disclosed |
| WO-2002083664-A1 | 3-SUBSTITUTED QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 AND NK-2 RECEPTOR ANTAGONISTS | GLAXOSMITHKLINE S.P.A. (IT) | 2002-10-24 | — | — | WO | disclosed |
| US-4175195-A | REACTING A (HETERO-)AROMATIC KETONE, AMMONIA, AND AN UNSATURATED KETONE OR ALDEHYDE | DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DE) | 1979-11-20 | — | — | US | disclosed |
| US-4171444-A | REACTING A (HETERO-)AROMATIC KETONE, AMMONIA, AND AN ALIPHATIC ALDEHYDE, DEHYDRATING-DEHYDROGENATION CATALYSTS | DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DE) | 1979-10-16 | — | — | US | disclosed |
| US-3983125-A | ANTIINFLAMMATORY, ANTALGIC, ANTICLOTTING | PARCOR (FR) | 1976-09-28 | — | — | US | disclosed |