⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24695966 | 0.87 | POLB (0.38) | — | |
| SCHEMBL24696134 | 0.87 | PIK3C2A (0.30) | — | |
| SCHEMBL21434183 | 0.83 | DRD2 (0.32) | — | |
| SCHEMBL31686852 | 0.83 | DRD2 (0.32) | — | |
| SCHEMBL20276082 | 0.82 | CYP1A2 (0.31) | — | |
| SCHEMBL30122185 | 0.82 | CYP1A2 (0.31) | — | |
| SCHEMBL30403047 | 0.82 | DRD2 (0.31) | — | |
| SCHEMBL21586186 | 0.82 | DRD2 (0.31) | — | |
| SCHEMBL30122219 | 0.82 | DRD2 (0.31) | — | |
| SCHEMBL30122083 | 0.82 | DRD2 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022253841-A1 | PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFOXIMINE CONTAINING SUBSTITUENTS | SYNGENTA CROP PROTECTION AG (CH) | 2022-12-08 | — | — | WO | disclosed |