SCHEMBL1469628

SCHEMBL1469628

CCCCOC(C)(C)OC(=O)OC(C)(C)OCCCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
ATM Q13315 1/20 0.39
TSHR P16473 4/20 0.36
HPGD P15428 1/20 0.36
HCAR2 Q8TDS4 1/20 0.34
CES2 O00748 3/20 0.33
NAAA Q02083 1/20 0.33
DGKA P23743 1/20 0.33
CYP3A4 P08684 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
ACHE P22303 1/20 0.32
CES1 P23141 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
LMNA P02545 1/20 0.32
ESR1 P03372 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
SCHEMBL1469392 0.90 CA1 (0.40) ALDH1A1ATMTSHRHPGDACHE
SCHEMBL1470045 0.90 ALDH1A1 (0.47) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL1470085 0.88 ALDH1A1 (0.43) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL1470096 0.85 NAAA (0.47) ALDH1A1ATMTSHRHCAR2NAAA
SCHEMBL11129740 0.85 ALDH1A1 (0.40) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL5484696 0.85 ALDH1A1 (0.40) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL1471638 0.80 ALDH1A1 (0.45) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL1091353 0.80 DGKA (0.50) ALDH1A1TSHRCES2NAAADGKA
SCHEMBL1091851 0.80 DGKA (0.50) ALDH1A1TSHRCES2NAAADGKA
SCHEMBL131236 0.79 ALDH1A1 (0.39) ALDH1A1ATMTSHRHPGDHCAR2

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 12 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-9231274-B2 Nonaqueous electrolyte solution and lithium secondary battery using same MITSUBISHI CHEMICAL CORPORATION (JP) 2016-01-05 US disclosed
US-9136560-B2 Nonaqueous electrolyte solution and lithium secondary battery using same MITSUBISHI CHEMICAL CORPORATION (JP) 2015-09-15 US disclosed
US-20130196225-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND LITHIUM SECONDARY BATTERY USING SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2013-08-01 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