SCHEMBL1718151

SCHEMBL1718151

CCOC[N+]1(CC)CCCC1.F[B-](F)(F)F

nearest known ligand 0.00

⚠ 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.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL907546 0.98
SCHEMBL907631 0.94
SCHEMBL907545 0.92
SCHEMBL1717698 0.91
SCHEMBL4898190 0.89
Hydrochloric Acid SCHEMBL1718321 0.89
SCHEMBL907442 0.88
SCHEMBL1769762 0.84
Hydrochloric Acid SCHEMBL907585 0.82
SCHEMBL4898229 0.82 KDM4E (0.30)

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-1642894-B1 QUATERNARY AMMONIUM SALT, ELECTROLYTE, AND ELECTROCHEMICAL DEVICE OTSUKA CHEMICAL CO LTD (JP) 2012-01-18 EP 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
US-20100118469-A1 ELECTROLYTE SOLUTION FOR ELECTRIC DOUBLE LAYER CAPACITOR OTSUKA CHEMICAL CO., LTD. 2010-05-13 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