SCHEMBL2425110

SCHEMBL2425110

CCCCC(CC)OC(N)OC(CC)CCCC

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
OPRM1 P35372 1/20 0.37
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CYP3A4 P08684 3/20 0.34
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
PRKCA P17252 1/20 0.34
PRKCD Q05655 1/20 0.34
TSHR P16473 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CTSK P43235 1/20 0.33
DNM1 Q05193 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL2097855 0.85 PRKCA (0.31) PRKCAPRKCD
SCHEMBL887651 0.85 ALDH1A1 (0.40) ALDH1A1TDP1CA1CA2CYP3A4
Magnesium SCHEMBL10632211 0.82 ALDH1A1 (0.39) ALDH1A1TDP1CA1CA2CYP3A4
SCHEMBL4810115 0.82 OPRM1 (0.44) ALDH1A1TDP1OPRM1CYP3A4
SCHEMBL8979955 0.82 OPRM1 (0.44) OPRM1CYP3A4
SCHEMBL8979935 0.80 OPRM1 (0.43) OPRM1CYP3A4
SCHEMBL28467664 0.80 OPRM1 (0.43) ALDH1A1TDP1OPRM1CYP3A4DNM1
SCHEMBL28024615 0.80 ALDH1A1 (0.37) ALDH1A1TDP1OPRM1CA1CA2
SCHEMBL2097004 0.79 TSHR (0.33) TSHR
SCHEMBL134089 0.77 OPRM1 (0.42) OPRM1TSHRDNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8323834-B2 Electric storage element STELLA CHEMIFA CORPORATION (JP) 2012-12-04 US disclosed
EP-2037468-B1 ADDITIVE FOR ELECTROLYTE SOLUTION AND ELECTROLYTE SOLUTION OTSUKA CHEMICAL CO LTD (JP) 2012-10-24 EP disclosed
US-8029690-B2 Process for production of highly pure quaternary ammonium salt OTSUKA CHEMICAL CO., LTD. (JP) 2011-10-04 US disclosed
US-8029689-B2 Method for producing high-purity quaternary ammonium salt OTSUKA CHEMICAL CO., LTD. (JP) 2011-10-04 US disclosed
EP-1689016-B1 ELECTROLYTE SOLUTION AND NON-AQUEOUS ELECTROLYTE LITHIUM SECONDARY BATTERY COMPRISING THE SAME STELLA CHEMIFA CORP (JP) 2011-09-21 EP disclosed
US-20100099030-A1 ELECTRIC STORAGE ELEMENT STELLA CHEMIFA CORPORATION (JP) 2010-04-22 US disclosed
US-7700243-B2 Electrolyte solution and nonaqueous electrolyte lithium secondary battery OTSUKA CHEMICAL CO., LTD. (JP) 2010-04-20 US disclosed
US-20100044617-A1 Method for producing high-purity quaternary ammonium salt STELLA CHEMIFA CORPORATION (JP) 2010-02-25 US disclosed
US-20090272933-A1 Process for production of highly pure quaternary ammonium salt STELLA CHEMIFA CORPORATION (JP) 2009-11-05 US disclosed
EP-2098518-A1 PROCESS FOR PRODUCTION OF HIGHLY PURE QUATERNARY AMMONIUM SALT Otsuka Chemical Co., Ltd. (JP) 2009-09-09 EP disclosed
EP-2037468-A1 ADDITIVE FOR ELECTROLYTE SOLUTION AND ELECTROLYTE SOLUTION Otsuka Chemical Co., Ltd. (JP) 2009-03-18 EP disclosed
US-20070037064-A1 contains N,N-diethyl-N-methyl-N-methoxymethylammonium Chloride OTSUKA CHEMICAL CO., LTD. (JP) 2007-02-15 US disclosed
EP-1689016-A1 ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE LITHIUM SECONDARY BATTERY Stella Chemifa Corporation (JP) 2006-08-09 EP disclosed