⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28628073 | 0.68 | — | — | |
| SCHEMBL31298686 | 0.61 | — | — | |
| SCHEMBL28680460 | 0.60 | — | — | |
| SCHEMBL28354522 | 0.58 | — | — | |
| SCHEMBL29015002 | 0.57 | — | — | |
| SCHEMBL28262739 | 0.52 | — | — | |
| SCHEMBL21798621 | 0.51 | — | — | |
| SCHEMBL28703048 | 0.51 | — | — | |
| SCHEMBL31281683 | 0.50 | — | — | |
| SCHEMBL27933925 | 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 |
|---|---|---|---|---|---|---|---|
| CN-109096208-B | Quinazoline derivative and preparation method and application thereof | 中国科学院上海有机化学研究所 | 2021-11-19 | — | — | CN | disclosed |