SCHEMBL1469883

SCHEMBL1469883

CCCCOC(=O)OCCC(C)OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
ATM Q13315 1/20 0.42
TSHR P16473 4/20 0.40
HPGD P15428 2/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
HCAR2 Q8TDS4 1/20 0.38
NAAA Q02083 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
ZDHHC7 Q9NXF8 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
FAAH O00519 1/20 0.36
EPHX1 P07099 1/20 0.35
LMNA P02545 1/20 0.35
ESR1 P03372 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL1471596 0.93 NAAA (0.47) ALDH1A1TSHRHCAR2NAAAZDHHC7
SCHEMBL1469331 0.88 CHRNB2 (0.36) ALDH1A1CA1CA2SMN1; SMN2TDP1
Acetic Acid Butyl Ester SCHEMBL5490035 0.87 ALDH1A1 (0.64) ALDH1A1ATMTSHRHPGDCA1
SCHEMBL1469373 0.85 ALDH1A1 (0.45) ALDH1A1ATMTSHRHPGDCA1
SCHEMBL1470052 0.85 ALDH1A1 (0.45) ALDH1A1ATMTSHRHPGDCA1
SCHEMBL1128359 0.85 ALDH1A1 (0.52) ALDH1A1TDP1LMNAHSD17B10
SCHEMBL1471542 0.84 ALDH1A1 (0.44) ALDH1A1ATMTSHRHPGDCA1
SCHEMBL15135535 0.83 ALDH1A1 (0.42) ALDH1A1ATMTSHRHPGDCA1
SCHEMBL8694244 0.82 ALDH1A1 (0.50) ALDH1A1ATMTSHRHPGDCA1
Acetic Acid Pentyl Ester SCHEMBL4755423 0.82 ALDH1A1 (0.57) ALDH1A1TSHRHCAR2NAAAZDHHC7

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-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