⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28463562 | 1.00 | — | — | |
| SCHEMBL7283645 | 0.89 | — | — | |
| SCHEMBL7283640 | 0.89 | — | — | |
| SCHEMBL28458541 | 0.88 | — | — | |
| SCHEMBL28458539 | 0.88 | — | — | |
| SCHEMBL28461890 | 0.86 | ADORA2A (0.48) | — | |
| SCHEMBL28461892 | 0.86 | ADORA2A (0.48) | — | |
| SCHEMBL7304694 | 0.85 | KDM4E (0.51) | — | |
| SCHEMBL7304683 | 0.85 | KDM4E (0.51) | — | |
| SCHEMBL28461702 | 0.84 | ADORA2A (0.53) | — |
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-110041331-B | Styrylxanthine derivative and use thereof | 广东东阳光药业有限公司 | 2020-08-07 | — | — | CN | disclosed |