Hexylene Glycol

Hexylene Glycol

SCHEMBL6869929

CC(O)CC(C)(C)O.CC(O)CC(C)(C)O

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 4/20 0.39
TSHR P16473 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
HIF1A Q16665 1/20 0.38
CYP2C19 P33261 1/20 0.32
LMNA P02545 1/20 0.31
PIK3CD O00329 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
Hexylene Glycol SCHEMBL335683 1.00
Hexylene Glycol SCHEMBL123432 1.00
Hexylene Glycol SCHEMBL19379 1.00
Hexylene Glycol SCHEMBL8503452 0.97
Hexylene Glycol SCHEMBL6271981 0.97
Hexylene Glycol SCHEMBL1828185 0.97
Hexylene Glycol SCHEMBL1829463 0.97 MAPK1 (0.38) MAPK1ALDH1A1TSHRTDP1CYP1A2
Hexylene Glycol SCHEMBL11802241 0.97
Hexylene Glycol SCHEMBL28560190 0.97
Hexylene Glycol SCHEMBL9487674 0.97 MAPK1 (0.38) MAPK1ALDH1A1TSHRTDP1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112251299-A High-concentration detergent and preparation method thereof 沈阳脱普生活用品服务有限公司上海分公司 2021-01-22 CN disclosed
EP-1204734-B1 LIQUID FLUORESCENT WHITENING AGENT FORMULATION CIBA SC HOLDING AG (CH) 2004-01-28 EP disclosed
US-6660705-B1 Mixture of distyrylbiphenyl compound, nonionic surfactant, polyhydroxy compound, glycol and water CIBA SPECIALTY CHEMICALS CORPORATION 2003-12-09 US disclosed
EP-1204734-A1 LIQUID FLUORESCENT WHITENING AGENT FORMULATION Ciba SC Holding AG (CH) 2002-05-15 EP disclosed
WO-2001012771-A1 LIQUID FLUORESCENT WHITENING AGENT FORMULATION CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2001-02-22 WO disclosed