⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9814421 | 0.76 | NOTUM (0.32) | — | |
| SCHEMBL10696167 | 0.75 | PGK1 (0.32) | — | |
| SCHEMBL10690618 | 0.74 | MEN1 (0.42) | — | |
| SCHEMBL10690077 | 0.72 | KMT2A (0.30) | — | |
| SCHEMBL10695942 | 0.72 | ALDH1A1 (0.48) | — | |
| SCHEMBL10601233 | 0.71 | — | — | |
| SCHEMBL10695710 | 0.71 | PDE10A (0.39) | — | |
| SCHEMBL10691690 | 0.71 | KCNH2 (0.39) | — | |
| SCHEMBL10693113 | 0.71 | KCNH2 (0.36) | — | |
| SCHEMBL10694763 | 0.70 | KDM4E (0.33) | — |
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 |