⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL420193 | 0.78 | — | — | |
| SCHEMBL13542425 | 0.77 | ALDH1A1 (0.39) | — | |
| SCHEMBL14261186 | 0.75 | — | — | |
| SCHEMBL2500295 | 0.74 | KDM4E (0.57) | — | |
| SCHEMBL7594795 | 0.70 | — | — | |
| SCHEMBL27569991 | 0.70 | — | — | |
| SCHEMBL11264137 | 0.70 | — | — | |
| SCHEMBL8703324 | 0.70 | — | — | |
| SCHEMBL26344473 | 0.70 | — | — | |
| SCHEMBL6773592 | 0.69 | — | — |
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-3896066-A2 | 2-(HET)ARYL-SUBSTITUTED CONDENSED HETEROCYCLE DERIVATIVES AS PESTICIDES | Bayer CropScience Aktiengesellschaft (DE) | 2021-10-20 | — | — | EP | disclosed |