Diethylene Glycol Monoethyl Ether

Diethylene Glycol Monoethyl Ether

SCHEMBL7456530

CCOCCOCCO.OCC(O)CO

nearest known ligand 0.64

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Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.64
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
TSHR P16473 3/20 0.46
MAPK1 P28482 2/20 0.46
THRB P10828 3/20 0.45
HTT P42858 1/20 0.45
MAPT P10636 1/20 0.45
LMNA P02545 2/20 0.41
USP2 O75604 2/20 0.39
CYP3A4 P08684 1/20 0.31
CASP1 P29466 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SLCO1B3 Q9NPD5 1/20 0.31
SLCO1B1 Q9Y6L6 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
Glycerin SCHEMBL3962089 1.00 ALDH1A1 (0.64) ALDH1A1MEN1KMT2ATSHRMAPK1
2-Ethoxyethanol SCHEMBL11643717 0.95 ALDH1A1 (0.70) ALDH1A1MEN1KMT2ATSHRMAPK1
Di(Hydroxyethyl)Ether SCHEMBL28517387 0.93 ALDH1A1 (0.59) ALDH1A1MEN1KMT2ATSHRMAPK1
Glycerin SCHEMBL16008965 0.93 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ATSHRMAPK1
Di(Hydroxyethyl)Ether SCHEMBL28201339 0.88 TSHR (0.53) ALDH1A1MEN1KMT2ATSHRMAPK1
Pentaethylene Glycol SCHEMBL6681000 0.88 MEN1 (0.65) ALDH1A1MEN1KMT2ATSHRMAPK1
Hexaethylene Glycol SCHEMBL11352521 0.88 MEN1 (0.65) ALDH1A1MEN1KMT2ATSHRMAPK1
Triethylene Glycol SCHEMBL21081708 0.88 MEN1 (0.65) ALDH1A1MEN1KMT2ATSHRMAPK1
Glycerin SCHEMBL4597460 0.88 MEN1 (0.65) ALDH1A1MEN1KMT2ATSHRMAPK1
Triethylene Glycol SCHEMBL618788 0.88 MEN1 (0.65) ALDH1A1MEN1KMT2ATSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1005320-A4 NON-IRRITATING COMPOSITION FOR TREATING ACNE AND OTHER SKIN CONDITIONS BRISTOL MYERS SQUIBB CO (US) 2002-01-09 EP claimed
EP-1005320-A1 NON-IRRITATING COMPOSITION FOR TREATING ACNE AND OTHER SKIN CONDITIONS Bristol-Myers Squibb Company (US) 2000-06-07 EP claimed
WO-1998033471-A1 NON-IRRITATING COMPOSITION FOR TREATING ACNE AND OTHER SKIN CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-08-06 WO claimed
CN-114340597-A Compositions and methods for treating central nervous system disorders 帕克斯医学有限公司 2022-04-12 CN disclosed
US-20170361130-A9 STABILIZED AND SOLUBILIZED DRUG FORMULATION FOR TOPICAL APPLICATION AND TRANSDERMAL EFFICACY FOR COSMETIC IMPROVEMENT AND METHODS OF FORMULATION TRANSDERMAL CORP. 2017-12-21 US disclosed
US-20150157728-A1 STABILIZED AND SOLUBILIZED DRUG FORMULATION FOR TOPICAL APPLICATION AND TRANSDERMAL EFFICACY FOR COSMETIC IMPROVEMENT AND METHODS OF FORMULATION MODI PANKAJ (CA) 2015-06-11 US disclosed
WO-1989009206-A1 ACRYLAMIDE DERIVATIVE COMPOSITION, STABLE IN STORAGE AND TO BE USED FOR GENERATING IMMOBILIZED pH GRADIENTS PHARMACIA AB (SE) 1989-10-05 WO disclosed