⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22189258 | 0.88 | — | — | |
| SCHEMBL17901811 | 0.88 | POLB (0.36) | — | |
| SCHEMBL30958292 | 0.85 | — | — | |
| SCHEMBL17422556 | 0.85 | — | — | |
| SCHEMBL21586212 | 0.85 | NPC1 (0.33) | — | |
| SCHEMBL30402092 | 0.85 | NPC1 (0.33) | — | |
| SCHEMBL30989792 | 0.85 | — | — | |
| SCHEMBL25886519 | 0.85 | — | — | |
| SCHEMBL22189384 | 0.84 | — | — | |
| SCHEMBL19755918 | 0.82 | — | — |
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-3240786-B1 | PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS | SYNGENTA PARTICIPATIONS AG (CH) | 2019-03-27 | — | — | EP | disclosed |