⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28896392 | 0.96 | — | — | |
| SCHEMBL28896750 | 0.94 | — | — | |
| SCHEMBL31094789 | 0.82 | — | — | |
| SCHEMBL29584554 | 0.79 | — | — | |
| SCHEMBL24423148 | 0.79 | — | — | |
| SCHEMBL29202282 | 0.75 | — | — | |
| SCHEMBL28896440 | 0.75 | — | — | |
| SCHEMBL28896518 | 0.74 | — | — | |
| SCHEMBL21859784 | 0.73 | — | — | |
| SCHEMBL28896813 | 0.70 | — | — |
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-115403584-B | 2-thio-2, 3-dihydropyrimidine-4-one derivatives, pharmaceutical compositions, preparation methods and applications thereof | 长春金赛药业有限责任公司 | 2024-04-02 | — | — | CN | disclosed |
| CN-115403584-A | 2-thio-2, 3-dihydropyrimidine-4-one derivative, pharmaceutical composition, preparation method and application thereof | 长春金赛药业有限责任公司 | 2022-11-29 | — | — | CN | disclosed |