⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL562081 | 1.00 | — | — | |
| SCHEMBL562082 | 1.00 | — | — | |
| SCHEMBL12986369 | 0.93 | — | — | |
| SCHEMBL12986374 | 0.93 | — | — | |
| SCHEMBL19953557 | 0.85 | — | — | |
| SCHEMBL19953556 | 0.85 | — | — | |
| SCHEMBL434844 | 0.69 | — | — | |
| SCHEMBL20459471 | 0.69 | — | — | |
| SCHEMBL22252125 | 0.69 | — | — | |
| SCHEMBL28803801 | 0.69 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |