SCHEMBL1469898

SCHEMBL1469898

CCCCOC(C)CCOC(=O)OCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
SOAT1 P35610 1/20 0.38
ATM Q13315 1/20 0.36
EPHX2 P34913 1/20 0.35
TSHR P16473 3/20 0.34
HPGD P15428 2/20 0.34
FAAH O00519 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
MAPK1 P28482 2/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
ESR1 P03372 1/20 0.33
CYP2D6 P10635 1/20 0.33
NR1H2 P55055 1/20 0.33
RNASEL Q05823 1/20 0.33

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
SCHEMBL15135535 0.95 ALDH1A1 (0.42) ALDH1A1ATMEPHX2TSHRHPGD
SCHEMBL1470052 0.93 ALDH1A1 (0.45) ALDH1A1ATMEPHX2TSHRHPGD
SCHEMBL1469824 0.88 NAAA (0.46) ALDH1A1ATMEPHX2TSHRFAAH
SCHEMBL1471542 0.88 ALDH1A1 (0.44) ALDH1A1ATMTSHRHPGDFAAH
SCHEMBL1471554 0.88 CA1 (0.42) ALDH1A1ATMEPHX2TSHRHPGD
SCHEMBL1470031 0.85 ALDH1A1 (0.52) ALDH1A1SOAT1MEN1KMT2ALMNA
SCHEMBL1469367 0.84 ALDH1A1 (0.46) ALDH1A1SOAT1ATMTSHRHPGD
SCHEMBL11129621 0.82 ALDH1A1 (0.41) ALDH1A1ATMEPHX2TSHRHPGD
SCHEMBL2691429 0.82 ALDH1A1 (0.61) ALDH1A1ATMEPHX2TSHRHPGD
SCHEMBL11129620 0.82 ALDH1A1 (0.41) ALDH1A1ATMEPHX2TSHRHPGD

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
EP-3249735-A2 NON-AQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING THE SAME Mitsubishi Chemical Corporation (JP) 2017-11-29 EP disclosed
US-9136560-B2 Nonaqueous electrolyte solution and lithium secondary battery using same MITSUBISHI CHEMICAL CORPORATION (JP) 2015-09-15 US disclosed
US-8435681-B2 Nonaqueous electrolyte solution and lithium secondary battery using same MITSUBISHI CHEMICAL CORPORATION (JP) 2013-05-07 US disclosed
US-20130095379-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING SAME KOTATO MINORU (JP) 2013-04-18 US disclosed
US-20120244426-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2012-09-27 US disclosed
US-8043745-B2 Non-aqueous electrolyte solution and lithium secondary battery using same MITSUBISHI CHEMICAL CORPORATION (JP) 2011-10-25 US disclosed
US-8007938-B2 Nonaqueous electrolyte solution and lithium secondary battery using same MITSUBISHI CHEMICAL CORPORATION (JP) 2011-08-30 US disclosed
US-20110070485-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2011-03-24 US disclosed
US-20070224514-A1 Nonaqueous Electrolyte Solution and Lithium Secondary Battery Using Same MITSUBISHI CHEMICAL CORPORATION (JP) 2007-09-27 US disclosed
EP-1744394-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2007-01-17 EP disclosed