Triethylene Glycol

Triethylene Glycol

SCHEMBL9463191

COCCOCCOC(=O)OC.OCCOCCOCCO

nearest known ligand 0.44

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
TSHR P16473 6/20 0.40
MAPK1 P28482 1/20 0.40
ABCB11 O95342 1/20 0.37
CYP3A4 P08684 1/20 0.37
ADRA2B P18089 1/20 0.37
OPRD1 P41143 1/20 0.37
SCN5A Q14524 1/20 0.37
THRB P10828 1/20 0.36
HTT P42858 1/20 0.36
MAPT P10636 1/20 0.36
ALDH1A1 P00352 4/20 0.34
EPHX2 P34913 2/20 0.34
TP53 P04637 2/20 0.33
HIF1A Q16665 2/20 0.33
HSD17B10 Q99714 1/20 0.33
CA2 P00918 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 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
SCHEMBL9489709 0.94 MEN1 (0.50) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL9489883 0.94 MEN1 (0.50) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL9489938 0.94 MEN1 (0.50) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL9487692 0.94 MEN1 (0.50) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL9489283 0.94 MEN1 (0.50) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL17465793 0.92 MEN1 (0.48) MEN1KMT2ATSHRMAPK1ABCB11
SCHEMBL12262505 0.92 MEN1 (0.48) MEN1KMT2ATSHRMAPK1ABCB11
SCHEMBL1469916 0.92 TSHR (0.41) MEN1KMT2ATSHRABCB11CYP3A4
SCHEMBL1128349 0.92 TSHR (0.41) MEN1KMT2ATSHRABCB11CYP3A4
SCHEMBL30179172 0.92 TSHR (0.41) MEN1KMT2ATSHRABCB11CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5210322-A Reaction of alcohol with carbonyl forming agent to form carbonate, decarboxylation, catalysis UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1993-05-11 US disclosed
EP-0476784-A1 Processes for the preparation of ethers UNION CARBIDE CHEMICALS AND PLASTICS COMPANY, INC. (US) 1992-03-25 EP disclosed