⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10690283 | 0.93 | LMNA (0.30) | — | |
| SCHEMBL10690287 | 0.89 | F2RL3 (0.32) | — | |
| SCHEMBL10696194 | 0.81 | PDE2A (0.35) | — | |
| SCHEMBL10693091 | 0.73 | TRPV1 (0.33) | — | |
| SCHEMBL10696207 | 0.72 | SCN5A (0.32) | — | |
| SCHEMBL10692362 | 0.72 | SCN5A (0.36) | — | |
| SCHEMBL10695942 | 0.70 | ALDH1A1 (0.48) | — | |
| SCHEMBL10693730 | 0.70 | — | — | |
| SCHEMBL10693016 | 0.68 | HSD17B13 (0.33) | — | |
| SCHEMBL10696167 | 0.65 | PGK1 (0.32) | — |
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-0251012-A2 | N-sulfenyl-2-trifluoromethyl benzimidazoles | BAYER AG (DE) | 1988-01-07 | — | — | EP | disclosed |