⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12694470 | 0.69 | ALDH1A1 (0.35) | — | |
| SCHEMBL22875522 | 0.67 | — | — | |
| SCHEMBL13670542 | 0.65 | — | — | |
| SCHEMBL21698123 | 0.64 | TAS1R3 (0.35) | — | |
| SCHEMBL19832798 | 0.62 | — | — | |
| SCHEMBL24869232 | 0.62 | — | — | |
| SCHEMBL28876473 | 0.62 | — | — | |
| SCHEMBL12824734 | 0.62 | — | — | |
| SCHEMBL27923881 | 0.62 | — | — | |
| SCHEMBL21728079 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3491922-A1 | PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO | Dow AgroSciences LLC (US) | 2019-06-05 | — | — | EP | disclosed |