⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6177174 | 0.80 | ALDH1A1 (0.30) | — | |
| SCHEMBL1134050 | 0.77 | — | — | |
| SCHEMBL93254 | 0.76 | — | — | |
| SCHEMBL14046812 | 0.76 | — | — | |
| SCHEMBL17048915 | 0.76 | — | — | |
| SCHEMBL3758342 | 0.76 | — | — | |
| SCHEMBL17048752 | 0.74 | — | — | |
| SCHEMBL20420828 | 0.74 | — | — | |
| SCHEMBL6179357 | 0.70 | — | — | |
| SCHEMBL353671 | 0.69 | ALDH1A1 (0.35) | — |
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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3110810-B1 | PYRAZOLE AMIDE DERIVATIVE | TEIJIN PHARMA LTD (JP) | 2018-05-02 | — | — | EP | disclosed |
| US-9365522-B2 | Pyrazole amide derivative | AMGEN INC. (US) | 2016-06-14 | — | — | US | disclosed |
| US-20150266824-A1 | Pyrazole Amide Derivative | TEIJIN LIMITED (JP) | 2015-09-24 | — | — | US | disclosed |
| EP-2132167-B1 | METHOD FOR THE PRODUCTION OF beta-KETONITRILES | BASF SE (DE) | 2013-12-25 | — | — | EP | disclosed |
| US-8501748-B2 | Method for the production of β-ketonitriles | BASF SE (DE) | 2013-08-06 | — | — | US | disclosed |
| US-20130005970-A1 | Method for the production of beta-ketonitriles | BASF SE (DE) | 2013-01-03 | — | — | US | disclosed |
| US-8309751-B2 | Method for the production of β-ketonitriles | BASF SE (DE) | 2012-11-13 | — | — | US | disclosed |
| US-7829580-B2 | Cyclic amine derivative having heteroaryl ring | SANKYO COMPANY, LTD. (JP) | 2010-11-09 | — | — | US | disclosed |
| US-20100105903-A1 | Method for the production of beta-ketonitriles | BASF SE (DE) | 2010-04-29 | — | — | US | disclosed |
| US-20100105681-A1 | 2,6-QUINOLINYL AND 2,6-NAPHTHYL DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES AS VLA-4 INHIBITORS | LASSOIE MARIE-AGNES | 2010-04-29 | — | — | US | disclosed |
| EP-0637298-B1 | SUBSTITUTED CYCLOHEXENE-1,2-BICARBOXYLIC ACID DERIVATIVES AND RAW MATERIALS FOR PRODUCING THEM | BASF AG (DE) | 1999-03-31 | — | — | EP | disclosed |
| US-5885934-A | HERBICIDES OR FOR THE DESICCATION/DEFOLIATION OF PLANTS | BASF AKTIENGESELLSCHAFT (DE) | 1999-03-23 | — | — | US | disclosed |
| US-5817603-A | HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 1998-10-06 | — | — | US | disclosed |
| EP-0777658-A1 | SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS | BASF AKTIENGESELLSCHAFT (DE) | 1997-06-11 | — | — | EP | disclosed |
| US-5602074-A | HERBICIDES; PLANT DESICCATION, DEFOLIATION | BASF AKTIENGESELLSCHAFT (DE) | 1997-02-11 | — | — | US | disclosed |
| WO-1996005179-A1 | SUBSTITUTED TRIAZOLINONES AS PLANT PROTECTIVE AGENTS | BASF AKTIENGESELLSCHAFT (DE) | 1996-02-22 | — | — | WO | disclosed |
| EP-0641321-A1 | SUBSTITUTED ISOINDOLONES | BASF Aktiengesellschaft (DE) | 1995-03-08 | — | — | EP | disclosed |
| EP-0637298-A1 | SUBSTITUTED CYCLOHEXENE-1,2-BICARBOXYLIC ACID DERIVATIVES AND RAW MATERIALS FOR PRODUCING THEM | BASF Aktiengesellschaft (DE) | 1995-02-08 | — | — | EP | disclosed |
| WO-1993024456-A1 | SUBSTITUTED ISOINDOLONES | BASF AKTIENGESELLSCHAFT (DE) | 1993-12-09 | — | — | WO | disclosed |
| WO-1993022280-A1 | SUBSTITUTED CYCLOHEXENE-1,2-BICARBOXYLIC ACID DERIVATIVES AND RAW MATERIALS FOR PRODUCING THEM | BASF AKTIENGESELLSCHAFT (DE) | 1993-11-11 | — | — | WO | disclosed |