⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29904275 | 1.00 | — | — | |
| SCHEMBL17466030 | 0.83 | NPC1 (0.32) | — | |
| SCHEMBL20482043 | 0.83 | PDE10A (0.31) | — | |
| SCHEMBL24313972 | 0.83 | — | — | |
| SCHEMBL29482593 | 0.83 | — | — | |
| SCHEMBL29482591 | 0.83 | — | — | |
| SCHEMBL24313978 | 0.83 | — | — | |
| SCHEMBL16064947 | 0.82 | DDR1 (0.34) | — | |
| SCHEMBL25239673 | 0.81 | PDE2A (0.38) | — | |
| SCHEMBL20482313 | 0.81 | PDE2A (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-3585770-B1 | PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS | SYNGENTA PARTICIPATIONS AG (CH) | 2022-03-23 | — | — | EP | disclosed |