⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2882733 | 0.92 | PPARA (0.62) | — | |
| SCHEMBL5256485 | 0.89 | PPARA (0.67) | — | |
| SCHEMBL27500497 | 0.89 | PPARA (0.67) | — | |
| Butyl(Butylsulfamoyl)Amine SCHEMBL2486301 | 0.82 | CA1 (1.00) | — | |
| SCHEMBL242928 | 0.81 | — | — | |
| SCHEMBL487521 | 0.80 | — | — | |
| SCHEMBL277303 | 0.80 | CA1 (0.67) | — | |
| SCHEMBL8679104 | 0.80 | CA1 (0.67) | — | |
| SCHEMBL11230761 | 0.78 | — | — | |
| SCHEMBL41856 | 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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4140684-A | FOR POLYESTERS, POLYAMIDES, AND CELLULOSE ACETATES | FIDELITY UNION TRUST COMPANY, EXECUTIVE TRUSTEE UNDER THE SANDOZ TRUST (US) | 1979-02-20 | — | — | US | claimed |
| WO-2023087632-A1 | ANTI-INFLAMMATORY ANALGESIC COMPOUND AND USE THEREOF | 江苏新元素医药科技有限公司 | 2023-05-25 | — | — | WO | disclosed |
| CN-114656429-A | Anti-inflammatory analgesic compound and application thereof | 江苏新元素医药科技有限公司 | 2022-06-24 | — | — | CN | disclosed |
| US-20160130230-A1 | SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2016-05-12 | — | — | US | disclosed |
| US-9187428-B2 | Substituted dicyanopyridines and use thereof | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2015-11-17 | — | — | US | disclosed |
| US-20130210795-A1 | SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2013-08-15 | — | — | US | disclosed |
| EP-2588454-A1 | SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF | Bayer Intellectual Property GmbH (DE) | 2013-05-08 | — | — | EP | disclosed |
| WO-2012000945-A1 | SUBSTITUTED DICYANOPYRIDINES AND USE THEREOF | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2012-01-05 | — | — | WO | disclosed |
| EP-1221440-B1 | Benzoheterocyclic derivatives useful as vasopressin or oxytocin modulators | OTSUKA PHARMA CO LTD (JP) | 2007-04-25 | — | — | EP | disclosed |
| US-6642223-B2 | A benzoazepin or benzodiazepin derivatives, shows excellent anti-vasopressin activity, vasopressin agonistic activity and oxytocin antagonistic activity, and are useful as antagonist | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2003-11-04 | — | — | US | disclosed |
| EP-1221440-A1 | Benzoheterocyclic derivatives useful as vasopressin or oxytocin modulators | Otsuka Pharmaceutical Company, Limited (JP) | 2002-07-10 | — | — | EP | disclosed |
| US-20020049194-A1 | Benzoheterocyclic derivatives | OGAWA HIDENORI (JP) | 2002-04-25 | — | — | US | disclosed |
| US-6335327-B1 | Benzoheterocyclic derivatives | OTSUKA PHARMACEUTICALS CO., LTD. (JP) | 2002-01-01 | — | — | US | disclosed |
| US-6096735-A | Benzoheterocyclic derivatives | OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) | 2000-08-01 | — | — | US | disclosed |
| EP-0765314-A1 | BENZOHETEROCYCLIC DERIVATIVES USEFUL AS VASOPRESSIN OR OXYTOCIN MODULATORS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1997-04-02 | — | — | EP | disclosed |
| WO-1995034540-A1 | BENZOHETEROCYCLIC DERIVATIVES USEFUL AS VASOPRESSIN OR OXYTOCIN MODULATORS | OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) | 1995-12-21 | — | — | WO | disclosed |
| US-4179435-A | SULPHONIC ACID-FREE | CIBA-GEIGY CORPORATION (US) | 1979-12-18 | — | — | US | disclosed |
| US-4140684-A | FOR POLYESTERS, POLYAMIDES, AND CELLULOSE ACETATES | FIDELITY UNION TRUST COMPANY, EXECUTIVE TRUSTEE UNDER THE SANDOZ TRUST (US) | 1979-02-20 | — | — | US | disclosed |
| US-4115381-A | FOR POLYESTER FIBERS | CIBA-GEIGY CORPORATION (US) | 1978-09-19 | — | — | US | disclosed |
| US-3943120-A | WATER INSOLUBLE | CIBA-GEIGY AG (CH) | 1976-03-09 | — | — | US | disclosed |