⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28896758 | 0.86 | USP2 (0.38) | — | |
| SCHEMBL30829435 | 0.77 | CYP4F2 (0.30) | — | |
| SCHEMBL5896048 | 0.75 | NPC1 (0.34) | — | |
| SCHEMBL5896923 | 0.75 | — | — | |
| SCHEMBL20660309 | 0.74 | CHRM1 (0.32) | — | |
| SCHEMBL5895396 | 0.72 | CYP4F2 (0.33) | — | |
| SCHEMBL5895410 | 0.70 | — | — | |
| SCHEMBL5895665 | 0.70 | PKM (0.34) | — | |
| SCHEMBL4978257 | 0.70 | — | — | |
| SCHEMBL28896246 | 0.69 | ACACB (0.36) | — |
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-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 |