SCHEMBL1469979

SCHEMBL1469979

CCCCCCOC(=O)OC(CCC)OCCCC

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.44
EPHX1 P07099 1/20 0.42
TSHR P16473 3/20 0.41
ALDH1A1 P00352 2/20 0.40
STS P08842 5/20 0.40
HCAR2 Q8TDS4 1/20 0.39
RAD52 P43351 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
FAAH O00519 1/20 0.38

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
SCHEMBL1469672 0.95 ALDH1A1 (0.44) NAAAEPHX1TSHRALDH1A1STS
SCHEMBL1471604 0.90 NAAA (0.44) NAAAEPHX1TSHRALDH1A1HCAR2
SCHEMBL1469203 0.89 NAAA (0.46) NAAAEPHX1TSHRALDH1A1STS
SCHEMBL1470036 0.87 ALDH1A1 (0.42) NAAAEPHX1TSHRALDH1A1HCAR2
SCHEMBL1469784 0.87 ALDH1A1 (0.40) TSHRALDH1A1STSHCAR2
SCHEMBL5487103 0.86 ALDH1A1 (0.39) TSHRALDH1A1
SCHEMBL1470054 0.85 NAAA (0.46) NAAAEPHX1TSHRALDH1A1HCAR2
SCHEMBL1470030 0.83 CA1 (0.39) EPHX1TSHRALDH1A1NPC1RAB9A
SCHEMBL1469397 0.83 ALDH1A1 (0.45) NAAAEPHX1TSHRALDH1A1STS
SCHEMBL1469562 0.81 ALDH1A1 (0.44) NAAAEPHX1TSHRALDH1A1HCAR2

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 9 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