⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL950861 | 0.80 | — | — | |
| SCHEMBL15195597 | 0.80 | — | — | |
| SCHEMBL19384586 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL19384655 | 0.78 | NOTUM (0.40) | — | |
| SCHEMBL13735546 | 0.77 | IDO1 (0.33) | — | |
| SCHEMBL5761874 | 0.77 | NPSR1 (0.48) | — | |
| SCHEMBL9799881 | 0.76 | ALDH1A1 (0.34) | — | |
| SCHEMBL956225 | 0.76 | — | — | |
| SCHEMBL15186359 | 0.75 | YTHDC1 (0.42) | — | |
| SCHEMBL9081285 | 0.75 | IKBKB (0.39) | — |
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 63 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130190286-A1 | B-RAF KINASE INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-07-25 | — | — | US | claimed |
| EP-2566855-A1 | 2,5,6,7-TETRAHYDRO-[1,4]OXAZEPIN-3-YLAMINE OR 2,3,6,7-TETRAHYDRO-[1,4]OXAZEPIN-5-YLAMINE COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2013-03-13 | — | — | EP | claimed |
| WO-2011138293-A1 | 2,5,6,7-TETRAHYDRO-[1,4]OXAZEPIN-3-YLAMINE OR 2,3,6,7-TETRAHYDRO-[1,4]OXAZEPIN-5-YLAMINE COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-11-10 | — | — | WO | claimed |
| CN-101302200-B | Preparation of N-piperidine subbase-5-(4-chlorphenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-formamide | SHANGHAI INST PHARM INDUSTRY | 2011-04-20 | — | — | CN | claimed |
| CN-100528158-C | Pharmaceutical composition for oral administration of pyrazole-3-carboxamide derivatives | SANOFI AVENTIS (FR) | 2009-08-19 | — | — | CN | claimed |
| CN-101302200-A | Preparation of N-piperidine subbase-5-(4-chlorphenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-formamide | SHANGHAI INST PHARM INDUSTRY (CN) | 2008-11-12 | — | — | CN | claimed |
| CN-1925856-A | Pharmaceutical composition for oral administration of pyrazole-3-carboxamide derivatives | SANOFI AVENTIS (FR) | 2007-03-07 | — | — | CN | claimed |
| CN-1250220-C | Use of an antagonist of cannabinoid central receptors for the manufacture of a medicament for facilitating the cessation of tobacco consumption | SANOFI SYNTHELABO (FR) | 2006-04-12 | — | — | CN | claimed |
| US-6893659-B2 | Pharmaceutical composition for oral administration of a N-piperidino-3- pyrazolecarboxamide derivative, its salts and their solvates | SANOTI-SYNTHELABO (FR) | 2005-05-17 | — | — | US | claimed |
| CN-1406128-A | Use of central cannabinoid receptor antagonist for preparing medicines designed to facilitate smoking cessation | SANOFI SYNTHELABO (FR) | 2003-03-26 | — | — | CN | claimed |
| CN-1047775-C | Substituted N-piperidino-pyrazole-3-carboxamide | SANOFI SA (FR) | 1999-12-29 | — | — | CN | claimed |
| CN-1110968-A | Substituted N-piperidino-pyrazole-3-carboxamide | SANOFI SA (FR) | 1995-11-01 | — | — | CN | claimed |
| CN-119707952-B | Thiadiazolidinone derivative with PTPN2/PTPN1 inhibitory activity, and preparation method and application thereof | CHINA PHARMACEUTICAL UNIVERSITY (CN) | 2026-05-26 | — | — | CN | disclosed |
| CN-119707952-A | Thiadiazolidinone derivative with PTPN2/PTPN1 inhibitory activity, and preparation method and application thereof | 中国药科大学 | 2025-03-28 | — | — | CN | disclosed |
| WO-2023217906-A1 | PYRROLIDINONE DERIVATIVES AS INHIBITORS OF NF KAPPA B INDUCING KINASE | JANSSEN PHARMACEUTICA NV (BE) | 2023-11-16 | — | — | WO | disclosed |
| CN-111269221-B | Bicyclic lactams and methods of use thereof | 豪夫迈·罗氏有限公司 | 2023-09-26 | — | — | CN | disclosed |
| CN-1250220-C | Use of an antagonist of cannabinoid central receptors for the manufacture of a medicament for facilitating the cessation of tobacco consumption | SANOFI SYNTHELABO (FR) | 2006-04-12 | — | — | CN | disclosed |
| CN-1406128-A | Use of central cannabinoid receptor antagonist for preparing medicines designed to facilitate smoking cessation | SANOFI SYNTHELABO (FR) | 2003-03-26 | — | — | CN | disclosed |
| EP-1257275-A2 | USE OF CENTRAL CANNABINOID RECEPTOR ANTAGONIST FOR PREPARING MEDICINES DESIGNED TO FACILITATE SMOKING CESSATION | Sanofi-Aventis (FR) | 2002-11-20 | — | — | EP | disclosed |
| WO-2001058450-A2 | USE OF CENTRAL CANNABINOID RECEPTOR ANTAGONIST FOR PREPARING MEDICINES DESIGNED TO FACILITATE SMOKING CESSATION | SANOFI-SYNTHELABO (FR) | 2001-08-16 | — | — | WO | disclosed |