Triethylene Glycol

Triethylene Glycol

SCHEMBL8539657

CC(C)C(O)C(C)(C)CO.OCCOCCOCCO

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
TSHR P16473 2/20 0.40
MAPK1 P28482 2/20 0.40
THRB P10828 1/20 0.36
HTT P42858 1/20 0.36
MAPT P10636 1/20 0.36
TRPA1 O75762 1/20 0.35
ALDH1A1 P00352 2/20 0.34
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
CASP1 P29466 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SLCO1B3 Q9NPD5 1/20 0.32
SLCO1B1 Q9Y6L6 1/20 0.32
PTGS1 P23219 1/20 0.30
KCNH2 Q12809 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
SCHEMBL8569561 0.87 MEN1 (0.61) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL20016191 0.86 MEN1 (0.42) MEN1KMT2ATSHRMAPK1THRB
Ethylene Glycol SCHEMBL28152293 0.83 TRPA1 (0.42) TSHRTRPA1ALDH1A1PTGS1KCNH2
Ethylene Glycol SCHEMBL2832859 0.83 TRPA1 (0.42) TSHRTRPA1ALDH1A1PTGS1KCNH2
SCHEMBL19645 0.82 TRPA1 (0.45) TSHRMAPK1TRPA1ALDH1A1PTGS1
SCHEMBL17072023 0.82 TRPA1 (0.45) TSHRMAPK1TRPA1ALDH1A1PTGS1
SCHEMBL20721697 0.82 TRPA1 (0.45) TSHRMAPK1TRPA1ALDH1A1PTGS1
SCHEMBL2454510 0.82 TRPA1 (0.36) MEN1KMT2ATSHRMAPK1TRPA1
SCHEMBL15361789 0.81 TSHR (0.47) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL10818718 0.80 TRPA1 (0.43) TSHRTRPA1ALDH1A1PTGS1KCNH2

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-5852162-A Low molecular weight hydroxy functional polyesters for coatings MORTON INTERNATIONAL, INC. (US) 1998-12-22 US disclosed