⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22859615 | 0.92 | — | — | |
| SCHEMBL22859613 | 0.88 | GPBAR1 (0.32) | — | |
| SCHEMBL22859551 | 0.86 | — | — | |
| SCHEMBL22859549 | 0.84 | ALDH1A1 (0.37) | — | |
| SCHEMBL22859704 | 0.82 | — | — | |
| SCHEMBL29790388 | 0.81 | LMNA (0.32) | — | |
| SCHEMBL19099426 | 0.81 | LMNA (0.32) | — | |
| SCHEMBL22859639 | 0.81 | ALDH1A1 (0.35) | — | |
| SCHEMBL22859640 | 0.80 | — | — | |
| SCHEMBL20065811 | 0.80 | SMN1; SMN2 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021000736-A1 | SUBSTITUTED BENZOYL-PYRAZOLE COMPOUND, AND APPLICATION THEREOF IN AGRICULTURE | 东莞市东阳光农药研发有限公司 | 2021-01-07 | — | — | WO | disclosed |