⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22023783 | 0.81 | NCF1 (0.32) | — | |
| SCHEMBL18467451 | 0.75 | NCF1 (0.34) | — | |
| SCHEMBL92497 | 0.71 | — | — | |
| SCHEMBL22757486 | 0.69 | — | — | |
| SCHEMBL18898378 | 0.69 | — | — | |
| SCHEMBL21157254 | 0.69 | — | — | |
| SCHEMBL22858679 | 0.67 | — | — | |
| SCHEMBL14751167 | 0.67 | — | — | |
| SCHEMBL24611447 | 0.67 | — | — | |
| SCHEMBL21859781 | 0.67 | — | — |
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-2022237903-A1 | QUINAZOLINE COMPOUND, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 上海医药集团股份有限公司 | 2022-11-17 | — | — | WO | disclosed |