Triethylene Glycol

Triethylene Glycol

SCHEMBL6552348

CCOCC.COCCOCCOCCOC.OCCOCCOCCO

nearest known ligand 0.62

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Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.62
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
TSHR P16473 3/20 0.50
MAPK1 P28482 2/20 0.50
THRB P10828 2/20 0.48
HTT P42858 1/20 0.48
MAPT P10636 1/20 0.48
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
CASP1 P29466 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLCO1B3 Q9NPD5 1/20 0.33
SLCO1B1 Q9Y6L6 1/20 0.33
CA2 P00918 1/20 0.32
KDM4E B2RXH2 1/20 0.32
RECQL P46063 1/20 0.32
PPARD Q03181 1/20 0.30

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
Di(Hydroxyethyl)Ether SCHEMBL8628884 1.00 ALDH1A1 (0.62) ALDH1A1MEN1KMT2ATSHRMAPK1
Triethylene Glycol SCHEMBL8031767 1.00 ALDH1A1 (0.62) ALDH1A1MEN1KMT2ATSHRMAPK1
Di(Hydroxyethyl)Ether SCHEMBL20836245 1.00 ALDH1A1 (0.62) ALDH1A1MEN1KMT2ATSHRMAPK1
Ether SCHEMBL8576575 1.00 ALDH1A1 (0.62) ALDH1A1MEN1KMT2ATSHRMAPK1
Ether SCHEMBL29179726 1.00 ALDH1A1 (0.62) ALDH1A1MEN1KMT2ATSHRMAPK1
Ether SCHEMBL23174883 0.98 ALDH1A1 (0.59) ALDH1A1MEN1KMT2ATSHRMAPK1
Di(Hydroxyethyl)Ether SCHEMBL11436530 0.95 ALDH1A1 (0.70) ALDH1A1MEN1KMT2ATSHRMAPK1
SCHEMBL20836247 0.95 ALDH1A1 (0.70) ALDH1A1MEN1KMT2ATSHRMAPK1
Diethylene Glycol Monoethyl Ether SCHEMBL3457519 0.95 ALDH1A1 (0.70) ALDH1A1MEN1KMT2ATSHRMAPK1
SCHEMBL8576276 0.95 ALDH1A1 (0.70) ALDH1A1MEN1KMT2ATSHRMAPK1

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
EP-0834538-B1 INK FOR INK JET PRINTING AND METHOD OF PRINTING USING THE SAME GEN CO LTD (JP) 2004-12-15 EP disclosed
EP-0834538-A1 INK FOR INK JET PRINTING AND METHOD OF PRINTING USING THE SAME General Company Limited (JP) 1998-04-08 EP disclosed