⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL791507 | 0.75 | — | — | |
| SCHEMBL4391911 | 0.75 | — | — | |
| SCHEMBL2752470 | 0.71 | — | — | |
| SCHEMBL19438261 | 0.69 | — | — | |
| SCHEMBL15017856 | 0.66 | — | — | |
| SCHEMBL1901744 | 0.66 | — | — | |
| SCHEMBL6335738 | 0.57 | — | — | |
| SCHEMBL19292948 | 0.57 | — | — | |
| SCHEMBL1233922 | 0.56 | — | — | |
| SCHEMBL350137 | 0.55 | — | — |
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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9840508-B2 | N-acyl-(3-substituted)-(8-methyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a] pyrazines as selective NK-3 receptor antagonists, pharmaceutical composition, methods for use in NK-3 receptor-mediated disorders | OGED SA (BE) | 2017-12-12 | — | — | US | claimed |
| US-9422299-B2 | Substituted [1,2,4]triazolo[4,3-a]pyrazines as selective NK-3 receptor antagonists | EUROSCREEN SA (BE) | 2016-08-23 | — | — | US | claimed |
| US-20090247560-A1 | Diaryl ketimine derivative | BANYU PHARMACEUTICAL CO., LTD. | 2009-10-01 | — | — | US | claimed |
| CN-106431988-A | Opsin-binding ligands, compositions and methods of use | 比卡姆药品公司 | 2017-02-22 | — | — | CN | disclosed |
| EP-2895482-A1 | HIV PROTEASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2015-07-22 | — | — | EP | disclosed |
| CN-104640853-A | Indole-amide compounds as beta-amyloid inhibitors | HOFFMANN LA ROCHE | 2015-05-20 | — | — | CN | disclosed |
| EP-2794612-A1 | 2 - (PYRIDIN- 2YL) - 1, 7 -DIAZA- SPIRO [4.4]NONANE- 6 -ONE COMPOUNDS AS VOLTAGE - GATED SODIUM CHANNELS MODULATORS | Convergence Pharmaceuticals Limited (GB) | 2014-10-29 | — | — | EP | disclosed |
| WO-2014043019-A1 | HIV PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2014-03-20 | — | — | WO | disclosed |
| EP-2693878-A1 | SUBSTITUTED (3R,4R)-4-CYAN-3,4-DIPHENYLBUTANOATES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS | Bayer Intellectual Property GmbH (DE) | 2014-02-12 | — | — | EP | disclosed |
| EP-2686296-A1 | SUBSTITUTED 4-CYAN-3-(2,6-DIFLUOROPHENYL)-4-PHENYLBUTANOATES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS | Bayer Intellectual Property GmbH (DE) | 2014-01-22 | — | — | EP | disclosed |
| WO-2013093497-A1 | 2 - (PYRIDIN- 2YL) - 1, 7 -DIAZA- SPIRO [4.4] NONANE- 6 -ONE COMPOUNDS AS VOLTAGE - GATED SODIUM CHANNELS MODULATORS | Convergence Pharmaceuticals Limited (GB) | 2013-06-27 | — | — | WO | disclosed |
| WO-2011084402-A1 | TYROSINE KINASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2011-07-14 | — | — | WO | disclosed |
| WO-2010020307-A2 | INDAZOLE-5-CARBOXYLIC ACID HYDRAZIDE DERIVATIVES | MERCK PATENT GMBH (DE) | 2010-02-25 | — | — | WO | disclosed |
| US-20070197590-A1 | SUBSTITUTED DIPIPERIDINE CCR2 ANTAGONISTS | JANSSEN PHARMACEUTCA N.V. (BE) | 2007-08-23 | — | — | US | disclosed |
| US-6984637-B2 | Cyclic amine derivatives-CCR-3 receptor antagonists | SYNTEX (U.S.A.) LLC (US) | 2006-01-10 | — | — | US | disclosed |
| US-6858651-B2 | 2,3-oxidosqualene-lanosterol cyclase inhibitors | HOFFMANN-LA ROCHE INC. (US) | 2005-02-22 | — | — | US | disclosed |
| US-6770650-B2 | CHEMOKINE RECEPTOR (CCR) ANTAGONISTS SUCH AS N-(1(S)-(4-(3,4-DICHLOROBENZYL)PIPERAZIN-1-YLMETHYL)-2-METHYLPROPYL)-4 -METHYLBENZAMIDE DIHYDROCHLORIDE SALT FOR TREATMENT OF ASTHMA | SYNTEX (U.S.A.) LLC | 2004-08-03 | — | — | US | disclosed |
| US-6683074-B1 | PYRROLIDINYL, PIPERAZINYL AND AZEPINYL DERIVATIVES; INFLAMMATORY OR ALLERGIC DISEASES | SYNTEX (U.S.A.) LLC | 2004-01-27 | — | — | US | disclosed |
| US-6339087-B1 | FOR THERAPY OF INFLAMMATORY OR ALLERGIC DISEASES ARE SELECTED FROM ASTHMA, ALLERGIC RHINITIS, HYPERSENSITIVITY LUNG DISEASES, HYPERSENSITIVITY PNEUMONITIS, EOSINOPHILIC PNEUMONIAS, INFLAMMATORY BOWEL DISEASES, PSORIASIS, DERMATITIS | SYNTEX (U.S.A.) LLC | 2002-01-15 | — | — | US | disclosed |
| US-6323223-B1 | CCR-3 RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, METHODS FOR THEIR USE AND METHODS FOR PREPARING THESE COMPOUNDS. | SYNTEX (U.S.A.) LLC | 2001-11-27 | — | — | US | disclosed |