⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4919465 | 0.76 | — | — | |
| SCHEMBL3393718 | 0.67 | — | — | |
| SCHEMBL303339 | 0.67 | — | — | |
| SCHEMBL4764096 | 0.65 | ALDH1A1 (0.43) | — | |
| SCHEMBL4919047 | 0.64 | ALDH1A1 (0.38) | — | |
| SCHEMBL4930687 | 0.64 | — | — | |
| SCHEMBL790366 | 0.63 | — | — | |
| SCHEMBL5214024 | 0.62 | NNMT (0.32) | — | |
| SCHEMBL208381 | 0.62 | — | — | |
| SCHEMBL17007172 | 0.60 | — | — |
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 273 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3634975-B1 | 17-OXIMES OF 15.BETA.-[3-PROPANAMIDO]-SUBSTITUTED ESTRA-1,3,5(10)-TRIEN-17-ONES FOR USE IN INHIBITION OF 17.BETA.-HYDROXYSTEROID DEHYDROGENASES | ORGANON R&D FINLAND LTD (FI) | 2024-02-28 | — | — | EP | claimed |
| US-20230357218-A1 | N-FORMAMIDOPYRAZOLINE DERIVATIVE AS P2X3 RECEPTOR ANTAGONIST AND USE THEREOF | HANGZHOU WESTAN PHARMACEUTICAL TECHNOLOGY CO., LTD (CN) | 2023-11-09 | — | — | US | claimed |
| US-20230242520-A1 | MALONITRILE DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 2023-08-03 | — | — | US | claimed |
| EP-4153304-A1 | NEW MALONITRILE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2023-03-29 | — | — | EP | claimed |
| CN-115666721-A | Novel malononitrile derivatives | 豪夫迈·罗氏有限公司 | 2023-01-31 | — | — | CN | claimed |
| CN-113214240-B | N-formamido pyrazoline derivative as P2X3 receptor antagonist and application thereof | 杭州维坦医药科技有限公司 | 2022-12-06 | — | — | CN | claimed |
| CN-110945007-B | 15 beta- [ 3-propionylamino ] -substituted estra-1, 3,5 (10) -trien-17-one compounds and 17-oximes thereof for inhibiting 17 beta-hydroxysteroid dehydrogenases | 佛恩多制药有限公司 | 2022-11-18 | — | — | CN | claimed |
| EP-4079725-A1 | N-CARBOXAMIDOPYRAZOLINE DERIVATIVE SERVING AS P2X3 RECEPTOR ANTAGONIST AND APPLICATIONS | Hangzhou Westan Pharmaceutical Technology Co., Ltd. (CN) | 2022-10-26 | — | — | EP | claimed |
| US-20220127303-A1 | THERAPEUTICALLY ACTIVE STEROIDAL DERIVATIVES | FORENDO PHARMA LTD (FI) | 2022-04-28 | — | — | US | claimed |
| US-11254703-B2 | Therapeutically active steroidal derivatives | FORENDO PHARMA LTD (FI) | 2022-02-22 | — | — | US | claimed |
| US-20060122397-A1 | Exhibiting an activity at metabotropic glutamate receptors (mGluRs), especially at the mGluR5 receptor; neurological disorders, psychiatric disorders, acute and chronic pain | ASTRAZENECA AB (SE) | 2006-06-08 | — | — | US | claimed |
| EP-1529045-A2 | NEW COMPOUNDS | Astra Zeneca AB (SE) | 2005-05-11 | — | — | EP | claimed |
| US-20040152699-A1 | Compounds | ASTRAZENECA AND NPS PHARMACEUTICALS, INC. | 2004-08-05 | — | — | US | claimed |
| US-20040058970-A1 | Cognition enhancing derivatives of isoxazole triazoloindane GABA-A alpha 5 receptor subunit ligands | MERCK SHARP & DOHME LTD. (GB) | 2004-03-25 | — | — | US | claimed |
| WO-2004014881-A2 | '1,2,4'OXADIAZOLES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 | ASTRA ZENECA AB (SE) | 2004-02-19 | — | — | WO | claimed |
| EP-0233801-B1 | SUBSTITUTED AMIDES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | RHONE POULENC SANTE (FR) | 1990-05-23 | — | — | EP | claimed |
| US-4753941-A | HYPNOTICS, MUSCLE RELAXANTS | RHONE-POULENC SANTE (FR) | 1988-06-28 | — | — | US | claimed |
| EP-0233801-A1 | Substituted amides, their preparation and pharmaceutical compositions containing them | RHONE-POULENC SANTE (FR) | 1987-08-26 | — | — | EP | claimed |
| EP-0042731-B1 | LARVICIDES, INSECTICIDES, ACARICIDES AND MITICIDES, PROCESSES FOR PREPARING THEM AND COMPOSITIONS CONTAINING THEM | Pfizer Limited (GB) | 1984-12-05 | — | — | EP | claimed |
| EP-0042731-A1 | Larvicides, insecticides, acaricides and miticides, processes for preparing them and compositions containing them | Pfizer Limited (GB) | 1981-12-30 | — | — | EP | claimed |