⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27309280 | 0.61 | KDM1A (0.36) | — | |
| SCHEMBL31167182 | 0.54 | TAAR1 (0.34) | — | |
| SCHEMBL28729178 | 0.53 | CA12 (0.45) | — | |
| SCHEMBL2200370 | 0.52 | BACE1 (0.47) | — | |
| SCHEMBL7298543 | 0.52 | BACE1 (0.47) | — | |
| Hydrochloric Acid SCHEMBL10494933 | 0.50 | BACE1 (0.44) | — | |
| SCHEMBL25046943 | 0.49 | CA12 (0.42) | — | |
| SCHEMBL1835590 | 0.49 | CA12 (0.42) | — | |
| SCHEMBL28577673 | 0.49 | CA12 (0.36) | — | |
| SCHEMBL5513276 | 0.49 | TAAR1 (0.44) | — |
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 |