⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22308094 | 0.70 | — | — | |
| SCHEMBL22810818 | 0.70 | — | — | |
| SCHEMBL827658 | 0.62 | — | — | |
| Hydrochloric Acid SCHEMBL3949428 | 0.60 | — | — | |
| SCHEMBL2039629 | 0.60 | — | — | |
| SCHEMBL2042627 | 0.58 | — | — | |
| SCHEMBL5385850 | 0.57 | — | — | |
| SCHEMBL31183066 | 0.56 | — | — | |
| SCHEMBL21728060 | 0.54 | — | — | |
| SCHEMBL22857698 | 0.52 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107001328-A | Pyridin-2 (1H) -one quinolinone derivatives as mutant isocitrate dehydrogenase inhibitors | 福马治疗股份有限公司 | 2017-08-01 | — | — | CN | disclosed |