SCHEMBL17923935

SCHEMBL17923935

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

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.54
HPGD P15428 1/20 0.54
ALDH1A1 P00352 3/20 0.42
CYP3A4 P08684 1/20 0.42
THRB P10828 1/20 0.40
SMPD1 P17405 3/20 0.40
TP53 P04637 2/20 0.39
HIF1A Q16665 2/20 0.39
HSD17B10 Q99714 1/20 0.39
ATM Q13315 1/20 0.38
HCAR2 Q8TDS4 3/20 0.34
LPAR3 Q9UBY5 4/20 0.33
LPAR1 Q92633 2/20 0.33
LPAR2 Q9HBW0 2/20 0.33
FDPS P14324 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
SCHEMBL17923885 0.91 TSHR (0.49) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL17923933 0.90 TSHR (0.56) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL17923959 0.87 TSHR (0.47) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL128681 0.87 TSHR (0.47) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL17923910 0.87 THRB (0.46) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL5425934 0.82 SMPD1 (0.49) TSHRHPGDALDH1A1CYP3A4SMPD1
SCHEMBL17923884 0.81 TSHR (0.50) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL28653187 0.79 SMPD1 (0.57) SMPD1LPAR3LPAR1LPAR2FDPS
SCHEMBL17923895 0.78 TSHR (0.42) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL11661402 0.78 TSHR (0.42) 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