⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18720488 | 0.85 | — | — | |
| SCHEMBL21183169 | 0.84 | — | — | |
| SCHEMBL21183166 | 0.78 | ALDH1A1 (0.30) | — | |
| SCHEMBL21183182 | 0.77 | PPARD (0.33) | — | |
| SCHEMBL18720478 | 0.73 | HTR2A (0.30) | — | |
| SCHEMBL21183175 | 0.67 | HTR2A (0.34) | — | |
| SCHEMBL19353696 | 0.67 | PDE2A (0.31) | — | |
| SCHEMBL17325395 | 0.66 | — | — | |
| SCHEMBL20220255 | 0.65 | — | — | |
| SCHEMBL20738171 | 0.65 | — | — |
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-3152216-B1 | BICYCLIC COMPOUNDS AS PESTICIDES | BAYER CROPSCIENCE AG (DE) | 2019-07-24 | — | — | EP | disclosed |