Di(Hydroxyethyl)Ether

Di(Hydroxyethyl)Ether

SCHEMBL4199109

C=O.Nc1nc(N)nc(N)n1.OCCOCCO

nearest known ligand 0.48

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
MAPK1 P28482 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP1A2 P05177 1/20 0.37
PNP P00491 3/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.34
APP P05067 1/20 0.34
USP2 O75604 1/20 0.34
EDNRA P25101 1/20 0.34
HTR2A P28223 1/20 0.34
RECQL P46063 1/20 0.34
BLM P54132 1/20 0.34
HBB P68871 1/20 0.34
HSD17B10 Q99714 1/20 0.34
THRB P10828 1/20 0.32
HTT P42858 1/20 0.32
MAPT P10636 1/20 0.32
CASP1 P29466 1/20 0.32

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 SCHEMBL9417112 0.93 TSHR (0.56) TSHRMAPK1MEN1KMT2ACYP1A2
Triethylene Glycol SCHEMBL29113196 0.90 MEN1 (0.58) TSHRMAPK1MEN1KMT2ACYP1A2
Ethylene Glycol SCHEMBL23277686 0.82 CYP1A2 (0.44) TSHRCYP1A2ALDH1A1LMNACASP1
SCHEMBL28488850 0.80 CASP1 (0.48) TSHRMAPK1MEN1KMT2ACYP1A2
2-Ethoxyethanol SCHEMBL11177096 0.79 ALDH1A1 (0.64) TSHRMAPK1MEN1KMT2ACYP1A2
Di(Hydroxyethyl)Ether SCHEMBL5213209 0.79
Di(Hydroxyethyl)Ether SCHEMBL8964271 0.79 TSHR (0.77) TSHRMAPK1MEN1KMT2AALDH1A1
Butoxyethanol SCHEMBL9322659 0.79 TSHR (0.68) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL2370363 0.76 KCNH3 (0.53) TSHRMAPK1MEN1KMT2AALDH1A1
Alcohol SCHEMBL11191431 0.74 LMNA (0.46) TSHRMAPK1KMT2ACYP1A2ALDH1A1

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-20090191383-A1 METHOD FOR COLORING TEXTILE SUBSTRATES, AQUEOUS PRETREATMENT BATHS, AND USE THEREOF FOR THE PRETREATMENT OF TEXTILE SUBSTRATES BASF AKTIENGESELLSCHAFT (DE) 2009-07-30 US disclosed
WO-2008052962-A1 METHOD FOR COLORING SUBSTRATES FROM POLYPROPYLENE BASF SE (DE) 2008-05-08 WO disclosed