Known targets — ChEMBL curated mechanism
ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1
The experimentally established mechanism targets of Bromide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL2354547 | 0.97 | KDM4E (0.32) | — | |
| SCHEMBL1718218 | 0.97 | KDM4E (0.30) | — | |
| SCHEMBL1196362 | 0.95 | KDM4E (0.33) | — | |
| SCHEMBL2863020 | 0.80 | — | — | |
| SCHEMBL3303625 | 0.78 | KDM4E (0.30) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL18092904 | 0.77 | ACHE (0.33) | — | |
| SCHEMBL4857537 | 0.73 | — | — | |
| SCHEMBL21315182 | 0.72 | — | — | |
| SCHEMBL15544542 | 0.72 | KDM4E (0.31) | — | |
| SCHEMBL25405488 | 0.72 | KDM4E (0.32) | — |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2172463-B1 | Quaternary ammonium salt, electrolytic solution and electrochemical device | OTSUKA CHEMICAL CO LTD (JP) | 2015-06-17 | — | — | EP | disclosed |
| 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 |
| EP-1698631-B1 | IONIC LIQUID, METHOD FOR PRODUCING SAME, DOUBLE LAYER CAPACITOR COMPRISING SAME, AND LITHIUM BATTERY | NAT INST OF ADVANCED IND SCIEN (JP) | 2011-08-10 | — | — | EP | disclosed |
| US-20110123873-A1 | Quaternary ammonium salt and composition, and electrochemical device | STELLA CHEMIFA CORPORATION (JP) | 2011-05-26 | — | — | US | disclosed |
| US-7875732-B2 | Quaternary ammonium salt, electrolyte, electrolyte, solution and electrochemical device | OTSUKA CHEMICAL CO., LTD. (JP) | 2011-01-25 | — | — | US | disclosed |
| US-7854854-B2 | Quaternary ammonium salt, electrolyte, electrolyte solution and electrochemical device | OTSUKA CHEMICAL CO., LTD. (JP) | 2010-12-21 | — | — | 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 |
| EP-1840124-B1 | QUATERNARY AMMONIUM SALT, ELECTROLYTE, ELECTROLYTE SOLUTION AND ELECTROCHEMICAL DEVICE | OTSUKA CHEMICAL CO LTD (JP) | 2010-03-17 | — | — | EP | disclosed |
| US-20100038578-A1 | Quaternary ammonium salt, electrolyte, electrolyte solution and electrochemical device | ALLY BANK, AS AGENT | 2010-02-18 | — | — | US | disclosed |
| US-20080050657-A1 | N-methoxymethyl-N-methylpyrrolidinium trifluoromethanesulfonate; high solubility in organic solvents, high electroconductivity, voltage resistance; environmentally friendly; use in lithium battery; double layer capacitors | STELLA CHEMIFA CORPORATION (JP) | 2008-02-28 | — | — | US | disclosed |
| EP-1840124-A1 | QUATERNARY AMMONIUM SALT, ELECTROLYTE, ELECTROLYTE SOLUTION AND ELECTROCHEMICAL DEVICE | Otsuka Chemical Co., Ltd. (JP) | 2007-10-03 | — | — | EP | disclosed |
| EP-1837333-A1 | QUATERNARY AMMONIUM SALT, ELECTROLYTE, ELECTROLYTE SOLUTION AND ELECTROCHEMICAL DEVICE | Otsuka Chemical Co., Ltd. (JP) | 2007-09-26 | — | — | EP | disclosed |
| US-20070099079-A1 | Ionic liquid, method for producing same, double layer capacitor comprising same, and lithium battery | NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) | 2007-05-03 | — | — | US | disclosed |
| US-20070042271-A1 | Quaternary ammonium salt, electrolyte, and electrochemical device | OTSUKA CHEMICAL CO., LTD. (JP) | 2007-02-22 | — | — | US | disclosed |
| EP-1698631-A1 | IONIC LIQUID, METHOD FOR PRODUCING SAME, DOUBLE LAYER CAPACITOR COMPRISING SAME, AND LITHIUM BATTERY | National Institute of Advanced Industrial Science and Technology (JP) | 2006-09-06 | — | — | EP | disclosed |
| EP-1642894-A1 | QUATERNARY AMMONIUM SALT, ELECTROLYTE, AND ELECTROCHEMICAL DEVICE | OTSUKA CHEMICAL COMPANY, LIMITED (JP) | 2006-04-05 | — | — | EP | disclosed |