⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17734083 | 0.62 | — | — | |
| SCHEMBL14781231 | 0.55 | — | — | |
| SCHEMBL16485585 | 0.54 | — | — | |
| SCHEMBL11065049 | 0.49 | DRD1 (0.56) | — | |
| SCHEMBL16911213 | 0.49 | — | — | |
| SCHEMBL20026890 | 0.47 | — | — | |
| SCHEMBL20268545 | 0.47 | — | — | |
| SCHEMBL4654255 | 0.46 | DRD1 (0.48) | — | |
| SCHEMBL13737387 | 0.45 | ALDH1A1 (0.33) | — | |
| SCHEMBL13264261 | 0.45 | DRD1 (0.68) | — |
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-117897384-A | CDK2 inhibitors | 缆图药品公司 | 2024-04-16 | — | — | CN | disclosed |