⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12062029 | 0.89 | — | — | |
| SCHEMBL6129813 | 0.84 | ALDH1A1 (0.32) | — | |
| SCHEMBL16076543 | 0.84 | — | — | |
| SCHEMBL30400852 | 0.82 | ALDH1A1 (0.31) | — | |
| SCHEMBL12162994 | 0.81 | — | — | |
| SCHEMBL12061988 | 0.81 | — | — | |
| SCHEMBL30399659 | 0.79 | — | — | |
| SCHEMBL6285143 | 0.79 | — | — | |
| SCHEMBL22203988 | 0.79 | ALDH1A1 (0.33) | — | |
| SCHEMBL792277 | 0.79 | — | — |
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-20120219879-A1 | PROTON EXCHANGE MEMBRANE COMPRISING POLYMER BLENDS FOR USE IN HIGH TEMPERATURE PROTON EXCHANGE MEMBRANE FUEL CELLS | EWE-FORSCHUNGSZENTRUM FÜR ENERGIETECHNOLOGIE E.V. (DE) | 2012-08-30 | — | — | US | disclosed |