⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13199244 | 0.81 | ATM (0.45) | — | |
| SCHEMBL24802421 | 0.79 | KRAS (0.32) | — | |
| SCHEMBL2276181 | 0.78 | TAS2R14 (0.40) | — | |
| SCHEMBL27277801 | 0.78 | CYP3A4 (0.46) | — | |
| SCHEMBL15957669 | 0.78 | AR (0.36) | — | |
| SCHEMBL23590738 | 0.77 | GABRA1 (0.31) | — | |
| SCHEMBL6244219 | 0.75 | MPL (0.31) | — | |
| SCHEMBL26068786 | 0.74 | GABRA1 (0.33) | — | |
| SCHEMBL28655670 | 0.74 | SOS1 (0.36) | — | |
| SCHEMBL25078522 | 0.73 | SOS1 (0.36) | — |
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-2022268209-A1 | DERIVATIVE HAVING PYRIMIDINE-FUSED CYCLIC STRUCTURE, AND USE THEREOF | 四川汇宇制药股份有限公司 | 2022-12-29 | — | — | WO | disclosed |