SCHEMBL5484696

SCHEMBL5484696

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
TSHR P16473 3/20 0.39
HPGD P15428 1/20 0.39
ATM Q13315 1/20 0.38
HCAR2 Q8TDS4 2/20 0.37
AKR1B1 P15121 1/20 0.33
TP53 P04637 1/20 0.33
CA2 P00918 1/20 0.33
MAPK1 P28482 1/20 0.33
GMNN O75496 1/20 0.33
USP2 O75604 1/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
APEX1 P27695 1/20 0.33
CYP2C19 P33261 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33

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
SCHEMBL1469628 0.85 ALDH1A1 (0.41) ALDH1A1TSHRHPGDATMHCAR2
SCHEMBL29442596 0.83 FFAR1 (0.33) ALDH1A1HSD17B10TDP1
SCHEMBL11129740 0.83 ALDH1A1 (0.40) ALDH1A1TSHRHPGDATMHCAR2
SCHEMBL3422881 0.81 TSHR (0.56) ALDH1A1TSHRHPGDATMHCAR2
SCHEMBL131237 0.80 ALDH1A1 (0.38) ALDH1A1TSHRHPGDATMHCAR2
SCHEMBL1469392 0.80 CA1 (0.40) ALDH1A1TSHRHPGDATMCA2
SCHEMBL1470045 0.80 ALDH1A1 (0.47) ALDH1A1TSHRHPGDATMHCAR2
SCHEMBL1470085 0.79 ALDH1A1 (0.43) ALDH1A1TSHRHPGDATMHCAR2
SCHEMBL1091851 0.79 DGKA (0.50) ALDH1A1TSHRMAPK1HSD17B10CES2
SCHEMBL1091353 0.79 DGKA (0.50) ALDH1A1TSHRMAPK1HSD17B10CES2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

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