⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23437893 | 0.68 | — | — | |
| SCHEMBL12181630 | 0.65 | HTR6 (0.32) | — | |
| SCHEMBL23182717 | 0.58 | — | — | |
| SCHEMBL23380061 | 0.58 | — | — | |
| SCHEMBL25051918 | 0.55 | — | — | |
| SCHEMBL17087987 | 0.55 | — | — | |
| SCHEMBL22211258 | 0.54 | — | — | |
| SCHEMBL23993645 | 0.54 | CYP2D6 (0.32) | — | |
| SCHEMBL22962196 | 0.53 | CHRM2 (0.31) | — | |
| SCHEMBL25004762 | 0.52 | — | — |
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-3896065-A1 | 2-(HET)ARYL-SUBSTITUTED CONDENSED HETEROCYCLE DERIVATIVES AS PESTICIDES | Bayer CropScience Aktiengesellschaft (DE) | 2021-10-20 | — | — | EP | disclosed |