⚠ 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 | |
|---|---|---|---|---|
| Butanal SCHEMBL7323870 | 0.96 | — | — | |
| Butanal SCHEMBL9303364 | 0.96 | ALDH1A1 (1.00) | — | |
| Butanal SCHEMBL597713 | 0.96 | ALDH1A1 (1.00) | — | |
| Butanal SCHEMBL807 | 0.96 | — | — | |
| Butanal SCHEMBL23854344 | 0.92 | — | — | |
| Butanal SCHEMBL5604964 | 0.92 | — | — | |
| Butanal SCHEMBL28908 | 0.92 | — | — | |
| Butanal SCHEMBL284804 | 0.92 | — | — | |
| Butanal SCHEMBL21142995 | 0.92 | — | — | |
| Butanal SCHEMBL2049306 | 0.92 | — | — |
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-20120196207-A1 | ELECTRODE CATALYST FOR FUEL CELL, METHOD OF PREPARING THE SAME, MEMBRANE ELECTRODE ASSEMBLY AND FUEL CELL INCLUDING THE SAME | SAMSUNG ELECTRONICS CO., LTD. (KR) | 2012-08-02 | — | — | US | disclosed |