⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6694810 | 0.93 | — | — | |
| SCHEMBL1978372 | 0.84 | — | — | |
| SCHEMBL2064673 | 0.78 | — | — | |
| SCHEMBL499482 | 0.78 | — | — | |
| SCHEMBL737435 | 0.73 | L3MBTL3 (0.39) | — | |
| SCHEMBL736728 | 0.73 | L3MBTL3 (0.34) | — | |
| SCHEMBL736506 | 0.73 | L3MBTL3 (0.34) | — | |
| SCHEMBL1513430 | 0.72 | — | — | |
| SCHEMBL738309 | 0.72 | L3MBTL3 (0.41) | — | |
| SCHEMBL736517 | 0.71 | L3MBTL3 (0.38) | — |
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-117120058-A | Heterocyclic compounds and their use | 金橘生物科技公司 | 2023-11-24 | — | — | CN | disclosed |
| CN-117043167-A | Pyrimidine ring compound and preparation method and application thereof | 劲方医药科技(上海)有限公司 | 2023-11-10 | — | — | CN | disclosed |