⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2537095 | 0.76 | PKM (0.34) | — | |
| SCHEMBL5850870 | 0.72 | PDE4B (0.36) | — | |
| SCHEMBL4213047 | 0.69 | ALDH1A1 (0.34) | — | |
| SCHEMBL14975394 | 0.67 | LATS1 (0.39) | — | |
| SCHEMBL3306872 | 0.64 | MPO (0.41) | — | |
| SCHEMBL29487338 | 0.64 | MPO (0.41) | — | |
| SCHEMBL3498669 | 0.64 | HTT (0.44) | — | |
| SCHEMBL18040224 | 0.64 | HTT (0.33) | — | |
| SCHEMBL29544605 | 0.63 | SNCA (0.35) | — | |
| SCHEMBL29893499 | 0.63 | AXL (0.39) | — |
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-2023056951-A1 | ARYL-SUBSTITUTED HETEROCYCLIC COMPOUND | 杭州德睿智药科技有限公司 | 2023-04-13 | — | — | WO | disclosed |