⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL385016 | 0.82 | — | — | |
| Butane SCHEMBL3151333 | 0.77 | TSHR (0.33) | — | |
| Bromide SCHEMBL11071949 | 0.77 | — | — | |
| Iodide SCHEMBL6829296 | 0.77 | — | — | |
| Water SCHEMBL8463487 | 0.77 | — | — | |
| Butane SCHEMBL31240952 | 0.77 | TSHR (0.33) | — | |
| SCHEMBL385085 | 0.75 | — | — | |
| Butane SCHEMBL909419 | 0.73 | LMNA (0.31) | — | |
| Butane SCHEMBL5142246 | 0.73 | LMNA (0.31) | — | |
| Propane SCHEMBL7622911 | 0.71 | — | — |
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-20040222401-A1 | Electrochemically stable onium salts and electrolytes containing such for electrochemical capacitors | XU KANG (US) | 2004-11-11 | — | — | US | claimed |