⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23222097 | 0.86 | — | — | |
| SCHEMBL23222167 | 0.83 | POLB (0.39) | — | |
| SCHEMBL19806353 | 0.81 | KCNH2 (0.33) | — | |
| SCHEMBL19299915 | 0.78 | — | — | |
| SCHEMBL24369944 | 0.78 | POLB (0.32) | — | |
| SCHEMBL18819842 | 0.77 | NPC1 (0.30) | — | |
| SCHEMBL24360760 | 0.76 | — | — | |
| SCHEMBL24360753 | 0.75 | — | — | |
| SCHEMBL23956588 | 0.75 | OPRM1 (0.31) | — | |
| SCHEMBL19174494 | 0.75 | TPH1 (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 |
|---|---|---|---|---|---|---|---|
| EP-3487860-B1 | CONDENSED BICYCLIC HETEROCYCLIC DERIVATIVES AS PESTICIDES | BAYER CROPSCIENCE AG (DE) | 2021-04-14 | — | — | EP | disclosed |