SCHEMBL1469665

SCHEMBL1469665

CCCCOC(=O)OCC(CC)OCCCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
ATM Q13315 1/20 0.41
TSHR P16473 4/20 0.39
HPGD P15428 2/20 0.39
LMNA P02545 3/20 0.38
ESR1 P03372 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2D6 P10635 1/20 0.38
MAPK1 P28482 1/20 0.38
NR1H2 P55055 1/20 0.38
RNASEL Q05823 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LPAR1 Q92633 2/20 0.37
LPAR3 Q9UBY5 2/20 0.37
HCAR2 Q8TDS4 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
PDE4D Q08499 1/20 0.37
RECQL P46063 1/20 0.36

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
SCHEMBL5916680 0.96 ALDH1A1 (0.42) ALDH1A1ATMTSHRHPGDLMNA
SCHEMBL1469297 0.95 NAAA (0.44) ALDH1A1TSHRLMNALPAR1LPAR3
SCHEMBL1469370 0.91 ALDH1A1 (0.42) ALDH1A1ATMTSHRHPGDLMNA
SCHEMBL1469298 0.91 ALDH1A1 (0.45) ALDH1A1ATMTSHRHPGDLMNA
SCHEMBL1470381 0.90 LPAR1 (0.42) ALDH1A1ATMTSHRHPGDLMNA
SCHEMBL1470094 0.89 CA1 (0.42) ALDH1A1ATMHPGDLMNALPAR1
SCHEMBL5489822 0.87 ALDH1A1 (0.39) ALDH1A1ATMTSHRHPGDLMNA
SCHEMBL5476615 0.87 CA2 (0.38) ALDH1A1ATMTSHRLMNAMAPK1
SCHEMBL1469817 0.86 ALDH1A1 (0.44) ALDH1A1ATMTSHRHPGDLPAR1
SCHEMBL12544759 0.86 ALDH1A1 (0.44) ALDH1A1ATMTSHRHPGDLMNA

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