Di(Hydroxyethyl)Ether

Di(Hydroxyethyl)Ether

SCHEMBL8500097

COC.C[NH+](C)c1ccccc1.Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.OCCOCCO

nearest known ligand 0.32

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Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RECQL P46063 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL6377992 0.86 CA2 (0.34)
SCHEMBL6378920 0.84 CA2 (0.37)
Ether SCHEMBL6654560 0.81 HPGD (0.30)
Di(Hydroxyethyl)Ether SCHEMBL6377927 0.80 TSHR (0.40) ALDH1A1MEN1KMT2A
Di(Hydroxyethyl)Ether SCHEMBL6383314 0.80 TSHR (0.40) ALDH1A1MEN1KMT2A
SCHEMBL30973629 0.80
Di(Hydroxyethyl)Ether SCHEMBL6379665 0.80 TSHR (0.40) ALDH1A1MEN1KMT2A
Acetone SCHEMBL6898104 0.77 HTT (0.33) MEN1KMT2A
SCHEMBL6054064 0.77
SCHEMBL394834 0.76

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
EP-0913400-A1 METHOD FOR PURIFYING TETRAKIS(FLUOROARYL) BORATE/MAGNESIUM HALIDE, TETRAKIS(FLUOROARYL) BORATE/ETHER COMPLEX AND PROCESS FOR PREPARING THE SAME, AND PROCESS FOR PREPARING TETRAKIS(FLUOROARYL) BORATE DERIVATIVE Nippon Shokubai Co., Ltd. (JP) 1999-05-06 EP disclosed