⚠ 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 | |
|---|---|---|---|---|
| Ethylene SCHEMBL19987895 | 0.86 | — | — | |
| SCHEMBL27912512 | 0.85 | MAPK1 (0.31) | — | |
| SCHEMBL7240952 | 0.85 | — | — | |
| SCHEMBL1296 | 0.85 | — | — | |
| SCHEMBL10940023 | 0.85 | — | — | |
| SCHEMBL1331944 | 0.85 | — | — | |
| Hno SCHEMBL2810131 | 0.82 | — | — | |
| SCHEMBL14973371 | 0.80 | — | — | |
| Water SCHEMBL2929026 | 0.80 | — | — | |
| SCHEMBL16345057 | 0.80 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1993159-A1 | Fuel cells using an oxy-carbon fuel soluble in aqueous meduim | ARKEMA FRANCE (FR) | 2008-11-19 | — | — | EP | disclosed |
| US-20080138690-A1 | Fuel Cells Containing a Fuel Soluble in Aqueous Medium and Having a Boiling Point Higher Than 65'C | ARKEMA FRANCE (FR) | 2008-06-12 | — | — | US | disclosed |
| CN-101116215-A | Fuel cells containing a fuel soluble in aqueous medium and having a boiling point higher than 65 deg c | ARKEMA FRANCE (FR) | 2008-01-30 | — | — | CN | disclosed |