⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13918654 | 0.95 | — | — | |
| SCHEMBL13919082 | 0.93 | SCN9A (0.31) | — | |
| SCHEMBL13918853 | 0.91 | — | — | |
| SCHEMBL14958924 | 0.89 | CASP1 (0.33) | — | |
| SCHEMBL13918857 | 0.88 | ADORA3 (0.40) | — | |
| SCHEMBL14958964 | 0.87 | SCN9A (0.31) | — | |
| SCHEMBL14546135 | 0.86 | ALDH1A1 (0.34) | — | |
| SCHEMBL14958917 | 0.86 | NPC1 (0.30) | — | |
| SCHEMBL13918661 | 0.85 | — | — | |
| SCHEMBL13919843 | 0.83 | SCN9A (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 |
|---|---|---|---|---|---|---|---|
| US-20090075147-A1 | Sulfonic acid group-containing polymer, method for producing the same, resin composition containing such sulfonic acid group-containing polymer, polymer electrolyte membrane, polymer electrolyte membrane/electrode assembly, and fuel cell | TOYO BOSEKI KABUSHIKI KAISHA (JP) | 2009-03-19 | — | — | US | disclosed |