⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1536745 | 0.69 | — | — | |
| SCHEMBL31272759 | 0.69 | TDP1 (0.30) | — | |
| SCHEMBL1119351 | 0.67 | — | — | |
| SCHEMBL12057030 | 0.67 | TDP1 (0.40) | — | |
| SCHEMBL118888 | 0.67 | — | — | |
| SCHEMBL1419795 | 0.67 | — | — | |
| SCHEMBL1119348 | 0.67 | — | — | |
| SCHEMBL28795096 | 0.65 | — | — | |
| SCHEMBL9395889 | 0.65 | — | — | |
| SCHEMBL23547530 | 0.65 | TDP1 (0.32) | — |
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-114008036-A | Disubstituted pyrazole compounds as ketohexokinase inhibitors | 伊莱利利公司 | 2022-02-01 | — | — | CN | disclosed |