Triethylene Glycol

Triethylene Glycol

SCHEMBL8610482

OCCOCCOCCO.Oc1cccc(O)c1.Oc1ccccc1O

nearest known ligand 0.46

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
LMNA P02545 3/20 0.46
CA12 O43570 2/20 0.46
CA2 P00918 2/20 0.46
CYP3A4 P08684 2/20 0.46
CA5A P35218 2/20 0.46
HSD17B10 Q99714 2/20 0.46
CA14 Q9ULX7 2/20 0.46
CA5B Q9Y2D0 2/20 0.46
CA9 Q16790 1/20 0.46
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LCK P06239 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RECQL P46063 2/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
GMNN O75496 1/20 0.39
EGFR P00533 1/20 0.39

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
Tetraethylene Glycol SCHEMBL27653357 0.92 ALDH1A1 (0.55) ALDH1A1LMNACA12CA2CYP3A4
Triethylene Glycol SCHEMBL8657618 0.92 ALDH1A1 (0.55) ALDH1A1LMNACA12CA2CYP3A4
Resorcinol SCHEMBL316076 0.90 ALDH1A1 (0.57) ALDH1A1LMNACA12CA2CYP3A4
Resorcinol SCHEMBL8073084 0.90 ALDH1A1 (0.57) ALDH1A1LMNACA12CA2CYP3A4
Hydroquinone SCHEMBL11598548 0.86 CA2 (0.52) ALDH1A1LMNACA12CA2CYP3A4
Catechol SCHEMBL6689005 0.85 ALDH1A1 (0.53) ALDH1A1LMNACA12CA2CYP3A4
Catechol SCHEMBL3905550 0.85 ALDH1A1 (0.53) ALDH1A1LMNACA12CA2CYP3A4
Hexaethylene Glycol SCHEMBL11589284 0.81 KMT2A (0.52) ALDH1A1LMNACA12CA2CA14
Tetraethylene Glycol SCHEMBL29259888 0.81 KMT2A (0.52) ALDH1A1LMNACA12CA2CA14
Triethylene Glycol SCHEMBL5923734 0.81 KMT2A (0.52) ALDH1A1LMNACA12CA2CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5744506-A FLEXIBILITY, MICROPOROUS OPEN CELLED FOAM THE PROCTER & GAMBLE COMPANY (US) 1998-04-28 US disclosed