⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13159699 | 0.77 | — | — | |
| SCHEMBL22048641 | 0.73 | — | — | |
| SCHEMBL16770486 | 0.72 | — | — | |
| SCHEMBL22480321 | 0.69 | — | — | |
| SCHEMBL18403049 | 0.69 | — | — | |
| SCHEMBL23169936 | 0.67 | — | — | |
| SCHEMBL21187585 | 0.67 | — | — | |
| SCHEMBL19453328 | 0.67 | — | — | |
| SCHEMBL12159439 | 0.65 | — | — | |
| SCHEMBL23104655 | 0.65 | — | — |
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-10676474-B2 | 1,6-naphthyridine derivatives as CDK4/6 inhibitor | CSTONE PHARMACEUTICALS (KY) | 2020-06-09 | — | — | US | disclosed |
| US-20190315745-A1 | CDK4/6 INHIBITOR | CSTONE PHARMACEUTICALS (KY) | 2019-10-17 | — | — | US | disclosed |