Di(Hydroxyethyl)Ether

Di(Hydroxyethyl)Ether

SCHEMBL28418344

CCC(CO)(CO)CO.CCCCCC(O)O.OCCOCCO

nearest known ligand 0.48

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
HTT P42858 2/20 0.48
MAPT P10636 2/20 0.48
THRB P10828 1/20 0.48
TSHR P16473 2/20 0.48
USP2 O75604 2/20 0.36
LMNA P02545 3/20 0.35
MAPK1 P28482 2/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CASP1 P29466 1/20 0.35
SLCO1B3 Q9NPD5 1/20 0.35
SLCO1B1 Q9Y6L6 1/20 0.35
CYP2D6 P10635 2/20 0.33
SPHK1 Q9NYA1 1/20 0.33
GMNN O75496 1/20 0.33
POLB P06746 1/20 0.33
THPO P40225 1/20 0.33

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 SCHEMBL28673769 0.89 TSHR (0.60) MEN1KMT2AHTTMAPTTHRB
Triethylene Glycol SCHEMBL7994424 0.87 MEN1 (0.63) MEN1KMT2AHTTMAPTTHRB
SCHEMBL9241352 0.87 LMNA (0.43) HTTMAPTLMNACYP3A4SMN1; SMN2
Butoxyethanol SCHEMBL4486144 0.85 TSHR (0.68) MEN1KMT2AHTTMAPTTHRB
Di(Hydroxyethyl)Ether SCHEMBL28126799 0.83 TSHR (0.62) MEN1KMT2AHTTMAPTTHRB
Di(Hydroxyethyl)Ether SCHEMBL2943020 0.81 TSHR (0.53) MEN1KMT2AHTTMAPTTHRB
SCHEMBL1072080 0.79 MEN1 (0.56) MEN1KMT2AHTTMAPTTHRB
SCHEMBL1041469 0.79 TSHR (0.56) MEN1KMT2AHTTMAPTTHRB
Triethylene Glycol SCHEMBL537748 0.79 MEN1 (0.55) MEN1KMT2AHTTMAPTTHRB
Di(Hydroxyethyl)Ether SCHEMBL28412895 0.79 TSHR (0.50) MEN1KMT2AHTTMAPTTHRB

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-106883810-B High-peeling polyurethane adhesive 江苏华大新材料有限公司 2020-06-30 CN disclosed