SCHEMBL17923909

SCHEMBL17923909

C=CC(=O)OCCC(CC)(CCOC(=O)C=C)OP(=O)(OC(CC)(CCOC(=O)C=C)CCOC(=O)C=C)OC(CC)(CCOC(=O)C=C)CCOC(=O)C=C

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.47
TSHR P16473 7/20 0.47
HPGD P15428 1/20 0.47
ALDH1A1 P00352 4/20 0.43
TP53 P04637 3/20 0.43
HIF1A Q16665 3/20 0.43
CYP3A4 P08684 2/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ATM Q13315 1/20 0.31

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
SCHEMBL17923910 0.89 THRB (0.46) THRBTSHRHPGDALDH1A1TP53
SCHEMBL17923884 0.89 TSHR (0.50) THRBTSHRHPGDALDH1A1TP53
SCHEMBL17923933 0.86 TSHR (0.56) THRBTSHRHPGDALDH1A1TP53
SCHEMBL11869600 0.83 THRB (0.46) THRBTSHRHPGDALDH1A1TP53
SCHEMBL17923969 0.80 TSHR (0.46) THRBTSHRHPGDALDH1A1TP53
SCHEMBL17923885 0.78 TSHR (0.49) THRBTSHRHPGDALDH1A1TP53
SCHEMBL11661400 0.77 TSHR (0.43) THRBTSHRHPGDALDH1A1TP53
SCHEMBL18950635 0.76 THRB (0.46) THRBTSHRHPGDALDH1A1TP53
SCHEMBL17923935 0.76 TSHR (0.54) THRBTSHRHPGDALDH1A1TP53
SCHEMBL13160476 0.75 THRB (0.66) THRBTSHRHPGDALDH1A1TP53

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
EP-3051618-B1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY USING SAME MITSUBISHI CHEM CORP (JP) 2018-11-14 EP disclosed
US-9461334-B2 Nonaqueous electrolytic solution and nonaqueous electrolyte battery using the same MITSUBISHI CHEMICAL CORPORATION (JP) 2016-10-04 US disclosed
EP-3051618-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY USING SAME Mitsubishi Chemical Corporation (JP) 2016-08-03 EP disclosed
US-20160211553-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY USING SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2016-07-21 US disclosed