Di(Hydroxyethyl)Ether

Di(Hydroxyethyl)Ether

SCHEMBL28588593

OCCCOC(CO)CO.OCCOCCO

nearest known ligand 0.48

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Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
MAPK1 P28482 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CNR1 P21554 4/20 0.39
CNR2 P34972 3/20 0.39
ALDH1A1 P00352 2/20 0.39
THRB P10828 1/20 0.37
HTT P42858 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL9559516 0.86 TSHR (0.38) TSHRMAPK1MEN1KMT2ACNR1
SCHEMBL8746210 0.82 CNR2 (0.47) CNR1CNR2ALDH1A1
SCHEMBL26921504 0.81 TSHR (0.41) TSHRMAPK1MEN1KMT2ACNR1
SCHEMBL4666901 0.79
SCHEMBL5223296 0.77 MEN1 (0.42) TSHRMAPK1MEN1KMT2ATHRB
SCHEMBL10354087 0.77 MEN1 (0.42) TSHRMAPK1MEN1KMT2ATHRB
SCHEMBL8618313 0.76 CNR2 (0.50) CNR1CNR2ALDH1A1
SCHEMBL8618271 0.76 CNR2 (0.50) CNR1CNR2ALDH1A1
SCHEMBL12369626 0.76 CNR2 (0.50) CNR1CNR2ALDH1A1
SCHEMBL19543504 0.76 MEN1 (0.42) TSHRMAPK1MEN1KMT2ACNR1

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-108473484-B Compounds useful as TRPM8 modulators 弗门尼舍公司 2021-06-29 CN disclosed