⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24880960 | 0.80 | — | — | |
| SCHEMBL21350109 | 0.74 | AR (0.30) | — | |
| SCHEMBL24880941 | 0.74 | AR (0.30) | — | |
| SCHEMBL23364922 | 0.74 | AR (0.30) | — | |
| SCHEMBL31034461 | 0.72 | HTT (0.33) | — | |
| SCHEMBL21332617 | 0.69 | CYP11B2 (0.34) | — | |
| SCHEMBL24880943 | 0.69 | — | — | |
| SCHEMBL25101108 | 0.68 | HTT (0.32) | — | |
| SCHEMBL22532038 | 0.68 | ESR1 (0.31) | — | |
| SCHEMBL25031183 | 0.68 | HTT (0.32) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023030388-A1 | 5-FLUORO-7H-PYRROLO[2,3-D] PYRIMIDINES COMPOUND AS WEE-1 INHIBITOR | 微境生物医药科技(上海)有限公司 | 2023-03-09 | — | — | WO | disclosed |
| WO-2023016417-A1 | 1,2-DIHYDRO-3H-PYRAZOL[3,4-D]PYRIMIDIN-3-ONE COMPOUND AS WEE-1 INHIBITOR | 微境生物医药科技(上海)有限公司 | 2023-02-16 | — | — | WO | disclosed |
| WO-2023280180-A1 | FUSED RING COMPOUND AS WEE-1 INHIBITOR | 微境生物医药科技(上海)有限公司 | 2023-01-12 | — | — | WO | disclosed |