Di(Hydroxyethyl)Ether

Di(Hydroxyethyl)Ether

SCHEMBL9405385

C=CCOC(=O)OCCOC(=O)OCC=C.OCCOCCO

nearest known ligand 0.42

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Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.42
ALDH1A1 P00352 4/20 0.42
TP53 P04637 2/20 0.42
HIF1A Q16665 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34

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
SCHEMBL8976178 0.98 TSHR (0.45) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL3891820 0.98 TSHR (0.45) TSHRALDH1A1TP53HIF1AHSD17B10
Di(Hydroxyethyl)Ether SCHEMBL160804 0.96 TSHR (0.45) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL11482671 0.94 TSHR (0.42) TSHRALDH1A1TP53HIF1AHSD17B10
Pentaethylene Glycol SCHEMBL2906371 0.94 MEN1 (0.46) TSHRALDH1A1TP53HIF1AHSD17B10
Triethylene Glycol SCHEMBL2915086 0.94 MEN1 (0.46) TSHRALDH1A1TP53HIF1AHSD17B10
Tetraethylene Glycol SCHEMBL2912605 0.94 MEN1 (0.46) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL1093745 0.90 TSHR (0.52) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL1407204 0.90 TSHR (0.52) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL10886350 0.90 TSHR (0.52) TSHRALDH1A1TP53HIF1AHSD17B10

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-0628064-A1 PHOTOCHROMIC NAPHTHOPYRANS TRANSITIONS OPTICAL, INC. (US) 1994-12-14 EP disclosed
WO-1993017071-A1 PHOTOCHROMIC NAPHTHOPYRANS PPG INDUSTRIES, INC. (US) 1993-09-02 WO disclosed