SCHEMBL17923933

SCHEMBL17923933

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

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.56
HPGD P15428 1/20 0.56
ALDH1A1 P00352 4/20 0.43
CYP3A4 P08684 3/20 0.43
THRB P10828 3/20 0.41
TP53 P04637 3/20 0.40
HIF1A Q16665 3/20 0.40
HSD17B10 Q99714 1/20 0.40
ATM Q13315 1/20 0.39
HCAR2 Q8TDS4 3/20 0.35
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
SMPD1 P17405 1/20 0.31
FDPS P14324 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
SCHEMBL17923884 0.91 TSHR (0.50) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL17923935 0.90 TSHR (0.54) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL128679 0.87 TSHR (0.49) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL17923909 0.86 THRB (0.47) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL5425921 0.81 TSHR (0.46) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL17923885 0.81 TSHR (0.49) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL11661400 0.77 TSHR (0.43) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL128681 0.77 TSHR (0.47) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL17923959 0.77 TSHR (0.47) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL17923969 0.76 TSHR (0.46) TSHRHPGDALDH1A1CYP3A4THRB

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