⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL9138362 | 0.99 | — | — | |
| SCHEMBL9135706 | 0.91 | — | — | |
| SCHEMBL9136697 | 0.85 | GPR4 (0.52) | — | |
| SCHEMBL9137156 | 0.82 | GPR4 (0.53) | — | |
| SCHEMBL13743046 | 0.79 | AGTR1 (0.66) | — | |
| SCHEMBL9137989 | 0.78 | GPR4 (0.50) | — | |
| SCHEMBL14409680 | 0.76 | — | — | |
| SCHEMBL5426008 | 0.76 | — | — | |
| SCHEMBL9136803 | 0.75 | PPARG (0.69) | — | |
| SCHEMBL9663116 | 0.75 | — | — |
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-0560330-A2 | Substituted benzimidazolyl derivatives, therapeutic agents containing them and process for their preparation | Dr. Karl Thomae GmbH (DE) | 1993-09-15 | — | — | EP | disclosed |