Di(Hydroxyethyl)Ether

Di(Hydroxyethyl)Ether

SCHEMBL28829962

C=CC(N)=O.C=CN1CCCC1=O.OCCOCCO

nearest known ligand 0.36

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Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.36
LMNA P02545 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA13 Q8N1Q1 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
ALDH1A1 P00352 1/20 0.31
FGFR4 P22455 1/20 0.31

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 SCHEMBL28245216 0.91 TSHR (0.33) TSHRLMNAALDH1A1
Acrylamide SCHEMBL1162173 0.87 TSHR (0.42) TSHRLMNACA12CA1CA2
Acrylamide SCHEMBL18066844 0.87 TSHR (0.42) TSHRLMNACA12CA1CA2
Acrylamide SCHEMBL28703253 0.84 THRB (0.32) TSHRLMNACA12CA1CA2
Acrylamide SCHEMBL6025647 0.82 TSHR (0.39) TSHRLMNACA12CA1CA2
SCHEMBL2852122 0.82 TSHR (0.54) TSHRLMNAALDH1A1
Acrylamide SCHEMBL7197841 0.82 TSHR (0.37) TSHRLMNACA12CA1CA2
Acrylamide SCHEMBL28466599 0.81 TSHR (0.38) TSHRLMNACA12CA1CA2
Urea SCHEMBL27484938 0.80 TSHR (0.44) TSHRLMNACA12CA1CA2
Ethylene Glycol SCHEMBL13822739 0.80 LMNA (0.38) TSHRLMNACA12CA1CA2

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
CN-103522654-B A kind of transparency protected Rotating fields of the coat of metal and process thereof 马良 2016-08-17 CN claimed