⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19956385 | 0.89 | EPHX2 (0.33) | — | |
| SCHEMBL19956379 | 0.84 | — | — | |
| SCHEMBL19956380 | 0.83 | — | — | |
| SCHEMBL46125 | 0.83 | OPRM1 (0.33) | — | |
| SCHEMBL19956394 | 0.80 | L3MBTL1 (0.32) | — | |
| SCHEMBL12071750 | 0.78 | KDM4E (0.32) | — | |
| SCHEMBL19956381 | 0.78 | SIGMAR1 (0.30) | — | |
| SCHEMBL12071749 | 0.77 | OPRM1 (0.35) | — | |
| SCHEMBL37359 | 0.76 | OPRM1 (0.35) | — | |
| SCHEMBL15032115 | 0.76 | RXFP1 (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 |
|---|---|---|---|---|---|---|---|
| EP-2575469-B1 | PESTICIDAL COMPOSITIONS | SYNGENTA PARTICIPATIONS AG (CH) | 2018-03-14 | — | — | EP | disclosed |