⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9826657 | 0.73 | — | — | |
| SCHEMBL711852 | 0.71 | — | — | |
| SCHEMBL86833 | 0.71 | — | — | |
| SCHEMBL6691810 | 0.69 | — | — | |
| SCHEMBL892279 | 0.69 | — | — | |
| SCHEMBL14958778 | 0.69 | CES1 (0.31) | — | |
| SCHEMBL7857350 | 0.69 | — | — | |
| SCHEMBL28666452 | 0.69 | — | — | |
| SCHEMBL14329983 | 0.65 | — | — | |
| SCHEMBL9163388 | 0.65 | — | — |
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-116745290-A | Process for preparing enantiomerically enriched forms of 2- [2- (2-chlorothiazol-5-yl) -2-hydroxyethyl ] sulfanyl-6-hydroxy-3-methyl-5-phenylpyrimidin-4-one | 巴斯夫欧洲公司 | 2023-09-12 | — | — | CN | disclosed |