⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9522318 | 0.88 | CHRNA1 (0.32) | — | |
| SCHEMBL9522757 | 0.84 | — | — | |
| SCHEMBL9522419 | 0.78 | — | — | |
| SCHEMBL9400070 | 0.78 | — | — | |
| SCHEMBL9523302 | 0.77 | OPRM1 (0.31) | — | |
| SCHEMBL9521786 | 0.75 | — | — | |
| SCHEMBL9523380 | 0.75 | SLC6A4 (0.33) | — | |
| SCHEMBL9522106 | 0.75 | — | — | |
| SCHEMBL9521358 | 0.73 | — | — | |
| SCHEMBL9522095 | 0.71 | — | — |
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-0211598-A2 | Pesticidal compounds | ROUSSEL-UCLAF (FR) | 1987-02-25 | — | — | EP | disclosed |