⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9369268 | 0.87 | — | — | |
| SCHEMBL28846178 | 0.76 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL29470610 | 0.76 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL25177265 | 0.76 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL28643389 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL28737239 | 0.75 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL4955107 | 0.72 | KDM4E (0.30) | — | |
| SCHEMBL28634630 | 0.71 | SMN1; SMN2 (0.30) | — | |
| SCHEMBL19547656 | 0.68 | HSD17B10 (0.44) | — | |
| SCHEMBL28846172 | 0.68 | HSD17B10 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |