⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29556922 | 0.93 | — | — | |
| SCHEMBL4966072 | 0.91 | — | — | |
| SCHEMBL420432 | 0.91 | — | — | |
| SCHEMBL31678573 | 0.83 | — | — | |
| SCHEMBL31544072 | 0.83 | — | — | |
| SCHEMBL30531785 | 0.83 | — | — | |
| SCHEMBL31544071 | 0.83 | — | — | |
| SCHEMBL31544070 | 0.83 | — | — | |
| SCHEMBL31596254 | 0.83 | — | — | |
| SCHEMBL29256116 | 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 |
|---|---|---|---|---|---|---|---|
| CN-117468035-A | Electrode for electrocatalytic water oxidation and preparation method thereof | 兰州大学 | 2024-01-30 | — | — | CN | disclosed |