⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL724735 | 0.91 | — | — | |
| SCHEMBL18285 | 0.91 | — | — | |
| SCHEMBL7069812 | 0.83 | — | — | |
| Bromide SCHEMBL22773716 | 0.83 | — | — | |
| SCHEMBL6888635 | 0.83 | — | — | |
| SCHEMBL10355929 | 0.83 | — | — | |
| Water SCHEMBL1290581 | 0.83 | ALDH1A1 (0.83) | — | |
| Water SCHEMBL620210 | 0.83 | — | — | |
| Ammonia Solution, Strong SCHEMBL20567139 | 0.83 | — | — | |
| SCHEMBL7192523 | 0.83 | — | — |
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-8039173-B2 | Catalyst for a fuel cell, a method for preparing the same, a membrane-electrode assembly for a fuel cell including the same, and a fuel cell system including the same | SAMSUNG SDI CO., LTD. (KR) | 2011-10-18 | — | — | US | disclosed |