⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3446651 | 0.87 | — | — | |
| Nitrous Acid SCHEMBL3448836 | 0.86 | — | — | |
| Thiocyanic Acid SCHEMBL2895349 | 0.84 | — | — | |
| SCHEMBL3448903 | 0.84 | — | — | |
| SCHEMBL3447920 | 0.83 | — | — | |
| SCHEMBL3449218 | 0.82 | NPC1 (0.30) | — | |
| SCHEMBL2897823 | 0.82 | — | — | |
| SCHEMBL3448237 | 0.80 | — | — | |
| SCHEMBL3447736 | 0.79 | — | — | |
| SCHEMBL3447151 | 0.79 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7854854-B2 | Quaternary ammonium salt, electrolyte, electrolyte solution and electrochemical device | OTSUKA CHEMICAL CO., LTD. (JP) | 2010-12-21 | — | — | US | disclosed |
| US-20100038578-A1 | Quaternary ammonium salt, electrolyte, electrolyte solution and electrochemical device | ALLY BANK, AS AGENT | 2010-02-18 | — | — | US | disclosed |
| EP-1840124-A1 | QUATERNARY AMMONIUM SALT, ELECTROLYTE, ELECTROLYTE SOLUTION AND ELECTROCHEMICAL DEVICE | Otsuka Chemical Co., Ltd. (JP) | 2007-10-03 | — | — | EP | disclosed |