⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17920060 | 1.00 | — | — | |
| SCHEMBL19457499 | 1.00 | — | — | |
| SCHEMBL14642985 | 0.95 | ALDH1A1 (0.36) | — | |
| SCHEMBL15218457 | 0.88 | ALDH1A1 (0.43) | — | |
| SCHEMBL7518724 | 0.88 | HSD17B10 (0.36) | — | |
| SCHEMBL20064605 | 0.83 | HSD17B10 (0.44) | — | |
| SCHEMBL6173845 | 0.83 | HSD17B10 (0.33) | — | |
| SCHEMBL20850620 | 0.81 | HSD17B10 (0.42) | — | |
| SCHEMBL21598304 | 0.81 | ALDH1A1 (0.38) | — | |
| SCHEMBL21598310 | 0.81 | ALDH1A1 (0.38) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4289824-A1 | URACIL COMPOUND CONTAINING CARBOXYLATE FRAGMENT AND PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION, AND USE | Jiangsu Flag Chemical Industry Co., Ltd. (CN) | 2023-12-13 | — | — | EP | 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-8178543-B2 | growth factor receptor tyrosine kinase inhibitor; anticarcinogenic agents; N-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-3-hydroxy-3-methylbutanamide | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-05-15 | — | — | US | disclosed |
| US-20110319380-A1 | Compounds for Treating Disorders Mediated by Metabotropic Glutamate Receptor 5, and Methods of Use Thereof | SUNOVION PHARMACEUTICALS INC. (US) | 2011-12-29 | — | — | US | disclosed |
| US-20100105903-A1 | Method for the production of beta-ketonitriles | BASF SE (DE) | 2010-04-29 | — | — | US | disclosed |
| EP-2132167-A1 | METHOD FOR THE PRODUCTION OF -KETONITRILES | BASF SE (DE) | 2009-12-16 | — | — | EP | disclosed |
| US-20090203717-A1 | FUSED HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-08-13 | — | — | US | disclosed |
| US-20090029973-A1 | FUSED HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-01-29 | — | — | US | disclosed |
| WO-2008107397-A1 | METHOD FOR THE PRODUCTION OF β-KETONITRILES | BASF SE (DE) | 2008-09-12 | — | — | WO | disclosed |