⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25136947 | 0.77 | — | — | |
| SCHEMBL26932615 | 0.75 | CYP1A2 (0.40) | — | |
| SCHEMBL30427115 | 0.74 | ALDH1A1 (0.32) | — | |
| SCHEMBL24663882 | 0.74 | ALDH1A1 (0.32) | — | |
| SCHEMBL30798175 | 0.74 | KRAS (0.36) | — | |
| SCHEMBL25136998 | 0.74 | TSHR (0.32) | — | |
| SCHEMBL31196801 | 0.74 | TSHR (0.32) | — | |
| SCHEMBL24985595 | 0.73 | CYP1A2 (0.41) | — | |
| SCHEMBL28906444 | 0.72 | — | — | |
| SCHEMBL25137001 | 0.72 | PGK1 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024051852-A1 | PYRIMIDINE-CONTAINING POLYCYCLIC BIOLOGICAL INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF | 上海翰森生物医药科技有限公司 | 2024-03-14 | — | — | WO | disclosed |
| WO-2023061463-A1 | NOVEL PYRIMIDOPYRIDINE COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF | 广东东阳光药业有限公司 | 2023-04-20 | — | — | WO | disclosed |