⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL907585 | 0.98 | — | — | |
| SCHEMBL907384 | 0.95 | NPC1 (0.30) | — | |
| SCHEMBL907584 | 0.93 | — | — | |
| SCHEMBL1769702 | 0.92 | NPC1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL1769752 | 0.90 | NPC1 (0.31) | — | |
| SCHEMBL907979 | 0.89 | — | — | |
| SCHEMBL1718151 | 0.84 | — | — | |
| SCHEMBL1769804 | 0.82 | KDM4E (0.31) | — | |
| Hydrochloric Acid SCHEMBL907546 | 0.82 | — | — | |
| SCHEMBL907445 | 0.82 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8747690-B2 | Quaternary ammonium salt and composition, and electrochemical device | OTSUKA CHEMICAL CO., LTD. (JP) | 2014-06-10 | — | — | US | disclosed |
| US-8366956-B2 | Quaternary ammonium salt and composition, and electrochemical device | OTSUKA CHEMICAL CO., LTD. (JP) | 2013-02-05 | — | — | US | disclosed |
| US-20130004860-A1 | QUATERNARY AMMONIUM SALT AND COMPOSITION, AND ELECTROCHEMICAL DEVICE | STELLA CHEMIFA CORPORATION (JP) | 2013-01-03 | — | — | US | disclosed |
| US-20110123873-A1 | Quaternary ammonium salt and composition, and electrochemical device | STELLA CHEMIFA CORPORATION (JP) | 2011-05-26 | — | — | US | disclosed |
| US-7834197-B2 | Quaternary ammonium salt, electrolyte, and electrochemical device | OTSUKA CHEMICAL CO., LTD. (JP) | 2010-11-16 | — | — | US | disclosed |
| EP-2172463-A1 | Quaternary ammonium salt, electrolytic solution and electrochemical device | Otsuka Chemical Co., Ltd. (JP) | 2010-04-07 | — | — | EP | disclosed |
| US-20070042271-A1 | Quaternary ammonium salt, electrolyte, and electrochemical device | OTSUKA CHEMICAL CO., LTD. (JP) | 2007-02-22 | — | — | US | disclosed |
| EP-1642894-A1 | QUATERNARY AMMONIUM SALT, ELECTROLYTE, AND ELECTROCHEMICAL DEVICE | OTSUKA CHEMICAL COMPANY, LIMITED (JP) | 2006-04-05 | — | — | EP | disclosed |