⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27734650 | 0.98 | — | — | |
| SCHEMBL319284 | 0.89 | — | — | |
| SCHEMBL27803157 | 0.89 | — | — | |
| Iodide SCHEMBL714909 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL28228945 | 0.87 | — | — | |
| Water SCHEMBL28029304 | 0.87 | — | — | |
| Bromide SCHEMBL28092799 | 0.87 | — | — | |
| Water SCHEMBL28383082 | 0.87 | — | — | |
| SCHEMBL21596300 | 0.86 | — | — | |
| Iodide SCHEMBL16010510 | 0.85 | — | — |
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-105932305-A | Oxygen Reduction Catalyst, Method For Producing The Same, And Polymer Electrolyte Fuel Cell | 昭和电工株式会社 | 2016-09-07 | — | — | CN | disclosed |