⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29022680 | 0.81 | THRB (0.31) | — | |
| SCHEMBL4924070 | 0.79 | — | — | |
| SCHEMBL29022651 | 0.75 | — | — | |
| SCHEMBL3458198 | 0.70 | — | — | |
| SCHEMBL6511981 | 0.67 | MEN1 (0.42) | — | |
| SCHEMBL13132269 | 0.67 | MEN1 (0.42) | — | |
| SCHEMBL14435203 | 0.67 | MEN1 (0.42) | — | |
| SCHEMBL2074987 | 0.67 | — | — | |
| SCHEMBL249356 | 0.66 | — | — | |
| SCHEMBL23205839 | 0.66 | MEN1 (0.46) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115109036-A | Quinazoline compound, composition and application thereof | 北京赛特明强医药科技有限公司 | 2022-09-27 | — | — | CN | claimed |
| CN-115109036-B | Quinazoline compound, composition and application thereof | 北京赛特明强医药科技有限公司 | 2024-06-11 | — | — | CN | disclosed |
| CN-115109036-A | Quinazoline compound, composition and application thereof | 北京赛特明强医药科技有限公司 | 2022-09-27 | — | — | CN | disclosed |