⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28084312 | 1.00 | — | — | |
| SCHEMBL27966444 | 0.81 | — | — | |
| SCHEMBL14718416 | 0.81 | — | — | |
| SCHEMBL6331646 | 0.78 | — | — | |
| SCHEMBL25218962 | 0.77 | RNPEP (0.33) | — | |
| SCHEMBL1901197 | 0.76 | PGD (0.30) | — | |
| SCHEMBL27383827 | 0.76 | — | — | |
| SCHEMBL27772884 | 0.76 | PGD (0.34) | — | |
| SCHEMBL8133935 | 0.75 | SLC1A3 (0.34) | — | |
| SCHEMBL7651031 | 0.75 | — | — |
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-110066302-A | Glucopyranosyl derivatives and application thereof | 广东东阳光药业有限公司 | 2019-07-30 | — | — | CN | disclosed |