⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24314114 | 0.92 | S1PR1 (0.30) | — | |
| SCHEMBL31476245 | 0.91 | LRRK2 (0.30) | — | |
| SCHEMBL24314119 | 0.91 | LRRK2 (0.30) | — | |
| SCHEMBL31476227 | 0.91 | LRRK2 (0.30) | — | |
| SCHEMBL24369944 | 0.90 | POLB (0.32) | — | |
| SCHEMBL24314116 | 0.84 | S1PR1 (0.30) | — | |
| SCHEMBL22201196 | 0.84 | — | — | |
| SCHEMBL31476247 | 0.84 | — | — | |
| SCHEMBL31476283 | 0.84 | — | — | |
| SCHEMBL30951761 | 0.84 | — | — |
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-3585770-B1 | PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS | SYNGENTA PARTICIPATIONS AG (CH) | 2022-03-23 | — | — | EP | disclosed |