Triethylene Glycol

Triethylene Glycol

SCHEMBL8958148

NC(=O)NCCOCCNC(N)=O.OCCOCCOCCO

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
CA2 P00918 4/20 0.47
TSHR P16473 2/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.40
ATG4B Q9Y4P1 1/20 0.35
THRB P10828 1/20 0.34
HTT P42858 1/20 0.34
MAPT P10636 1/20 0.34
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA4 P22748 2/20 0.33
CA9 Q16790 2/20 0.33
CA14 Q9ULX7 2/20 0.33
LMNA P02545 2/20 0.33
ACHE P22303 1/20 0.33
EPHX2 P34913 1/20 0.33
GAA P10253 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL6285604 1.00 MEN1 (0.48) MEN1KMT2ACA2TSHRMAPK1
Tetraethylene Glycol SCHEMBL8958300 1.00 MEN1 (0.48) MEN1KMT2ACA2TSHRMAPK1
SCHEMBL2523273 0.98 TSHR (0.46) MEN1KMT2ACA2TSHRMAPK1
Di(Hydroxyethyl)Ether SCHEMBL8958433 0.98 TSHR (0.46) MEN1KMT2ACA2TSHRMAPK1
Ethylene Glycol SCHEMBL8958377 0.91 CA2 (0.46) MEN1KMT2ACA2TSHRMAPK1
SCHEMBL8958306 0.91 CA2 (0.53) MEN1KMT2ACA2TSHRSMN1; SMN2
SCHEMBL8958384 0.91 CA2 (0.53) MEN1KMT2ACA2TSHRSMN1; SMN2
SCHEMBL8958158 0.91 CA2 (0.53) MEN1KMT2ACA2TSHRSMN1; SMN2
SCHEMBL8958443 0.91 CA2 (0.53) MEN1KMT2ACA2TSHRSMN1; SMN2
SCHEMBL8958454 0.89 CA2 (0.50) MEN1KMT2ACA2TSHRSMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5484457-A Continuous production of surface dyeings on cellulose fiber textile materials BASF AKTIENGESELLSCHAFT (DE) 1996-01-16 US disclosed
US-5224963-A Improving perspiration fastness BASF AKTIENGESELLSCHAFT (DE) 1993-07-06 US disclosed
US-5015754-A Cationic polyethers for fixing reative and direct dyes used for dyeing and printing cellulose textiles; washfastness BASF AKTIENGESELLSCHAFT (DE) 1991-05-14 US disclosed