SCHEMBL1469692

SCHEMBL1469692

CCCCOC(=O)OC(CC)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 5/20 0.40
HPGD P15428 1/20 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
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 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
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
NR1H2 P55055 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
SCHEMBL1470212 0.93 NAAA (0.47) ALDH1A1TSHRHCAR2NAAAEPHX1
SCHEMBL1469562 0.87 ALDH1A1 (0.44) ALDH1A1ATMTSHRHPGDCA1
SCHEMBL1469397 0.85 ALDH1A1 (0.45) ALDH1A1ATMTSHRHPGDCA1
SCHEMBL1471772 0.84 ALDH1A1 (0.44) ALDH1A1ATMTSHRHPGDCA1
Acetic Acid Butyl Ester SCHEMBL8041747 0.82 ALDH1A1 (0.62) ALDH1A1ATMTSHRHPGDCA1
SCHEMBL1469203 0.81 NAAA (0.46) ALDH1A1TSHRHCAR2NAAANPC1
SCHEMBL1470054 0.81 NAAA (0.46) ALDH1A1TSHRHCAR2NAAAEPHX1
SCHEMBL1471558 0.80 ALDH1A1 (0.50) ALDH1A1CA1CA2HCAR2LMNA
SCHEMBL1469412 0.80 CA1 (0.35) ALDH1A1TSHRCA1CA2
SCHEMBL654463 0.80 ALDH1A1 (0.33) ALDH1A1CA1CA2

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