⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25349835 | 1.00 | — | — | |
| SCHEMBL25349649 | 0.83 | — | — | |
| SCHEMBL25349045 | 0.81 | PARP1 (0.32) | — | |
| SCHEMBL25349050 | 0.81 | PARP1 (0.32) | — | |
| SCHEMBL2203071 | 0.76 | — | — | |
| SCHEMBL10844305 | 0.70 | — | — | |
| SCHEMBL3648080 | 0.67 | HPGD (0.46) | — | |
| SCHEMBL24718527 | 0.66 | — | — | |
| SCHEMBL13448668 | 0.66 | — | — | |
| SCHEMBL25349071 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023151621-A1 | COMPOUND HAVING ANTI-KRAS MUTANT TUMOR ACTIVITY | 泰励生物科技（上海）有限公司 | 2023-08-17 | — | — | WO | disclosed |