Hexylene Glycol

Hexylene Glycol

SCHEMBL10596120

CC(O)CC(C)(C)O.CCC(=O)O.CCC(=O)O

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.46
HMGCR P04035 1/20 0.37
CHRM1 P11229 1/20 0.37
TBXA2R P21731 1/20 0.37
ADRA1A P35348 1/20 0.37
TSHR P16473 3/20 0.33
PGD P52209 1/20 0.32
PIK3CD O00329 1/20 0.32
TP53 P04637 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HIF1A Q16665 2/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
TET2 Q6N021 1/20 0.30
CPT2 P23786 1/20 0.30
ACLY P53396 1/20 0.30
MAPK1 P28482 1/20 0.30

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 SCHEMBL28375776 0.88 ALDH1A1 (0.36) HMGCRCHRM1TBXA2RADRA1ATSHR
Hexylene Glycol SCHEMBL20504488 0.86 EGLN1 (0.41) FFAR3HMGCRCHRM1TBXA2RADRA1A
Hexylene Glycol SCHEMBL7566127 0.86 MAPK1 (0.37) FFAR3HMGCRCHRM1TBXA2RADRA1A
Hexylene Glycol SCHEMBL1829463 0.85 MAPK1 (0.38) TSHRPIK3CDALDH1A1HIF1ACYP2C19
Hexylene Glycol SCHEMBL11586164 0.84 HMGCR (0.36) HMGCRCHRM1TBXA2RADRA1ATSHR
Adipic Acid SCHEMBL20504494 0.83 LMNA (0.46) TSHRALDH1A1
Hexylene Glycol SCHEMBL335683 0.83
Hexylene Glycol SCHEMBL123432 0.83
Hexylene Glycol SCHEMBL6869929 0.83 MAPK1 (0.39) TSHRPIK3CDALDH1A1HIF1ACYP2C19
Hexylene Glycol SCHEMBL19379 0.83

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
US-4262936-A FOR PRESSURE SENSITIVE RECORDING FUJI PHOTO FILM CO., LTD. (JP) 1981-04-21 US claimed
US-4870048-A COLORFAST IMAGE, LIGHT RESISTANCE FUJI PHOTO FILM CO., LTD. (JP) 1989-09-26 US disclosed
US-4631204-A DISSOLVING METAL SALT OF CARBOXYLIC ACID IN DIPHENYL ALKANE DERIVATIVE FUJI PHOTO FILM CO., LTD. (JP) 1986-12-23 US disclosed
US-4559242-A FOR PRESSURE SENSITIVE RECORDING, TWO COATING SOLUTIONS CONTAININGAROMATIC CARBOXYLIC ACID METAL SALT FUJI PHOTO FILM CO., LTD. (JP) 1985-12-17 US disclosed
US-4262936-A FOR PRESSURE SENSITIVE RECORDING FUJI PHOTO FILM CO., LTD. (JP) 1981-04-21 US disclosed