⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2057950 | 0.80 | — | — | |
| SCHEMBL29015067 | 0.74 | ALDH1A1 (0.40) | — | |
| SCHEMBL15921055 | 0.71 | ALDH1A1 (0.44) | — | |
| SCHEMBL27395757 | 0.71 | ALDH1A1 (0.38) | — | |
| SCHEMBL294099 | 0.71 | POLB (0.41) | — | |
| SCHEMBL21853882 | 0.71 | ALDH1A1 (0.38) | — | |
| SCHEMBL20520527 | 0.69 | ALDH1A1 (0.41) | — | |
| SCHEMBL21858161 | 0.68 | ALDH1A1 (0.33) | — | |
| SCHEMBL20520649 | 0.68 | GSK3B (0.50) | — | |
| SCHEMBL20520537 | 0.68 | SMN1; SMN2 (0.37) | — |
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-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 | claimed |
| CN-116783200-A | Process for preparing enantiomerically enriched forms of 3- (2-chlorothiazol-5-yl) -8-methyl-7-oxo-6-phenyl-2, 3-dihydrothiazolo [3,2-a ] pyrimidin-4-ium-5-alkoxide | 巴斯夫欧洲公司 | 2023-09-19 | — | — | CN | disclosed |
| 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 |