⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21931660 | 1.00 | — | — | |
| SCHEMBL19876691 | 0.91 | PDE2A (0.33) | — | |
| SCHEMBL29720545 | 0.91 | PDE2A (0.33) | — | |
| SCHEMBL21931657 | 0.82 | CNR2 (0.32) | — | |
| SCHEMBL29774751 | 0.82 | CNR2 (0.32) | — | |
| SCHEMBL21796215 | 0.80 | MAPT (0.32) | — | |
| SCHEMBL29774758 | 0.80 | MAPT (0.32) | — | |
| SCHEMBL21796227 | 0.76 | — | — | |
| SCHEMBL19876978 | 0.76 | CYP11B1 (0.39) | — | |
| SCHEMBL23748067 | 0.76 | — | — |
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-110573513-B | 2- (hetero) aryl-substituted fused bicyclic heterocyclic derivatives as pest control agents | 拜耳公司 | 2022-08-09 | — | — | CN | disclosed |