⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25811593 | 0.81 | — | — | |
| SCHEMBL25826693 | 0.81 | MEN1 (0.34) | — | |
| SCHEMBL25811610 | 0.79 | NR1I2 (0.32) | — | |
| SCHEMBL25811601 | 0.66 | CYP3A4 (0.33) | — | |
| SCHEMBL25811878 | 0.64 | MEN1 (0.35) | — | |
| SCHEMBL27309280 | 0.61 | KDM1A (0.36) | — | |
| SCHEMBL25826699 | 0.61 | MEN1 (0.33) | — | |
| SCHEMBL5051071 | 0.54 | OPRM1 (0.46) | — | |
| SCHEMBL3911668 | 0.53 | CA12 (0.46) | — | |
| SCHEMBL13799411 | 0.53 | DRD2 (0.50) | — |
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-2023125989-A1 | QUINAZOLINE COMPOUND AND APPLICATION THEREOF | 上海医药集团股份有限公司 | 2023-07-06 | — | — | WO | disclosed |