⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15940521 | 0.69 | — | — | |
| SCHEMBL12774875 | 0.69 | — | — | |
| SCHEMBL12296156 | 0.69 | — | — | |
| Benzene SCHEMBL28457184 | 0.69 | — | — | |
| SCHEMBL17733589 | 0.66 | — | — | |
| SCHEMBL14052202 | 0.64 | — | — | |
| SCHEMBL13956304 | 0.61 | — | — | |
| SCHEMBL665505 | 0.61 | — | — | |
| SCHEMBL29881900 | 0.58 | — | — | |
| SCHEMBL350267 | 0.57 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110204541-A | A kind of preparation method of Eliquis | 新发药业有限公司 | 2019-09-06 | — | — | CN | disclosed |
| US-8198456-B2 | e.g. 1,4-dihydro-4-(1H-indazol-5-yl)-2,6-dimethyl-3,5-pyridinedicarbonitrile; c-Met tyrosine kinase inhibitor; antitumor agent; lung, liver, gastric and breast solid tumors; pancreatic cancer, glioma, and hepatocellular carcinoma | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2012-06-12 | — | — | US | disclosed |
| US-20080176833-A1 | DIHYDROPYRIDINE DERIVATIVES AS USEFUL AS PROTEIN KINASE INHIBITORS | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2008-07-24 | — | — | US | disclosed |