⚠ 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 | |
|---|---|---|---|---|
| Propylene Carbonate SCHEMBL9436261 | 0.89 | SMN1; SMN2 (0.33) | — | |
| Propylene Carbonate SCHEMBL27946250 | 0.88 | TSHR (0.36) | — | |
| Propylene Carbonate SCHEMBL15173456 | 0.87 | ALDH1A1 (0.34) | — | |
| Triethylene Glycol SCHEMBL5346623 | 0.86 | MEN1 (0.38) | — | |
| Propylene Carbonate SCHEMBL28113049 | 0.85 | SMN1; SMN2 (0.36) | — | |
| Propylene Carbonate SCHEMBL2163103 | 0.85 | SMN1; SMN2 (0.36) | — | |
| Propylene Carbonate SCHEMBL6860493 | 0.84 | SMN1; SMN2 (0.30) | — | |
| Propylene Carbonate SCHEMBL28249696 | 0.83 | ALDH1A1 (0.45) | — | |
| Propylene Carbonate SCHEMBL5346622 | 0.82 | SMN1; SMN2 (0.33) | — | |
| Propylene Carbonate SCHEMBL10684473 | 0.81 | SMN1; SMN2 (0.36) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7713449-B2 | Polymer electrolytic material, polymer electrolytic part, membrane electrode assembly, and polymer electrolyte fuel cell | TORAY INDUSTRIES, INC. (JP) | 2010-05-11 | — | — | US | disclosed |
| US-20060180796-A1 | Polymer electrolyte material, polymer electrolyte part, membrane electrode composite and polymer electrolyte type fuel cell | TORAY INDUSTRIES, INC. (JP) | 2006-08-17 | — | — | US | disclosed |
| 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 |