⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14958975 | 0.87 | — | — | |
| SCHEMBL14958963 | 0.87 | S1PR1 (0.30) | — | |
| SCHEMBL14546134 | 0.86 | CASP1 (0.34) | — | |
| SCHEMBL13918634 | 0.85 | — | — | |
| SCHEMBL14958967 | 0.85 | — | — | |
| SCHEMBL14958906 | 0.85 | CASP1 (0.30) | — | |
| SCHEMBL13919831 | 0.81 | — | — | |
| SCHEMBL13918728 | 0.81 | — | — | |
| SCHEMBL13181464 | 0.81 | MAPT (0.34) | — | |
| SCHEMBL14557891 | 0.80 | POLB (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 |
|---|---|---|---|---|---|---|---|
| US-8445141-B2 | 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) | 2013-05-21 | — | — | US | disclosed |