⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28531267 | 0.81 | — | — | |
| SCHEMBL10975409 | 0.78 | — | — | |
| SCHEMBL9842302 | 0.78 | — | — | |
| SCHEMBL1454106 | 0.74 | TSHR (0.41) | — | |
| SCHEMBL28953046 | 0.72 | — | — | |
| SCHEMBL9316050 | 0.70 | TSHR (0.33) | — | |
| SCHEMBL28543934 | 0.69 | ROCK2 (0.42) | — | |
| SCHEMBL1452404 | 0.67 | — | — | |
| SCHEMBL7780474 | 0.67 | — | — | |
| SCHEMBL3113224 | 0.66 | TSHR (0.56) | — |
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-1619735-A1 | POLYMER ELECTROLYTE MATERIAL, POLYMER ELECTROLYTE PART, MEMBRANE ELECTRODE COMPOSITE AND POLYMER ELECTROLYTE TYPE FUEL CELL | TORAY INDUSTRIES, INC. (JP) | 2006-01-25 | — | — | EP | disclosed |