⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31504543 | 0.72 | KMT2A (0.44) | — | |
| SCHEMBL31504542 | 0.72 | KMT2A (0.44) | — | |
| SCHEMBL30921337 | 0.69 | — | — | |
| SCHEMBL27992091 | 0.68 | DYRK1A (0.30) | — | |
| SCHEMBL30879089 | 0.68 | KDM4E (0.33) | — | |
| SCHEMBL7071462 | 0.64 | TDP1 (0.45) | — | |
| SCHEMBL28042369 | 0.63 | CDK1 (0.34) | — | |
| SCHEMBL19145398 | 0.62 | — | — | |
| SCHEMBL10973806 | 0.62 | — | — | |
| SCHEMBL29184313 | 0.61 | KDM4E (0.37) | — |
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-2025060620-A1 | CDK KINASE INHIBITOR AND USE THEREOF | 上海和誉生物医药科技有限公司 | 2025-03-27 | — | — | WO | disclosed |