⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL894460 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL894739 | 0.65 | — | — | |
| SCHEMBL26805564 | 0.61 | — | — | |
| SCHEMBL12193963 | 0.61 | — | — | |
| SCHEMBL18574647 | 0.61 | — | — | |
| SCHEMBL24625552 | 0.59 | — | — | |
| Hydrochloric Acid SCHEMBL2206854 | 0.59 | — | — | |
| Aziridine SCHEMBL29124842 | 0.57 | — | — | |
| Aziridine SCHEMBL16878816 | 0.53 | — | — | |
| Aziridine SCHEMBL2267 | 0.53 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-4223761-A1 | QUINAZOLINE COMPOUND AND APPLICATION THEREOF | Shanghai Pharmaceuticals Holding Co., Ltd. (CN) | 2023-08-09 | — | — | EP | disclosed |