1,6-Hexanediol

1,6-Hexanediol

SCHEMBL7029490

O=C=NCCCCCCN=C=O.O=C=Nc1cccc2c(N=C=O)cccc12.OCCCCCCO.OCCO

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.39
MIF P14174 1/20 0.36
GABRA1 P14867 1/20 0.30
GABRB2 P47870 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
SCHEMBL28070263 0.91 CYP3A4 (0.46) CYP3A4MIFGABRA1GABRB2
1,6-Hexanediol SCHEMBL6849068 0.91 CYP3A4 (0.34) CYP3A4MIF
SCHEMBL3814088 0.89 CYP3A4 (0.47) CYP3A4MIFGABRA1GABRB2
SCHEMBL9195080 0.82 CYP3A4 (0.50) CYP3A4GABRA1GABRB2
SCHEMBL7857389 0.82
Alpha-Naphthylisocyanate SCHEMBL28223340 0.78 CYP3A4 (0.45) CYP3A4
SCHEMBL719741 0.76 CYP3A4 (0.69) CYP3A4MIFGABRA1GABRB2
1,5-Pentanediol SCHEMBL23530163 0.75 MIF (0.58) MIF
SCHEMBL4535154 0.75 MIF (0.58) MIF
SCHEMBL4532918 0.75 MIF (0.58) MIF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10604664-B2 Infrared absorbing particle dispersion, aqueous ink, and ink cartridge FUJI XEROX CO., LTD. (JP) 2020-03-31 US disclosed
US-20180057700-A1 INFRARED ABSORBING PARTICLE DISPERSION, AQUEOUS INK, AND INK CARTRIDGE FUJI XEROX CO., LTD. (JP) 2018-03-01 US disclosed
US-6713528-B2 AQUEOUS DISPERSION OF NONIONIC OIL SOLUBLE POLYMER AND HYDROPHOBIC HIGH BOILING POINT ORGANIC SOLVENT; WATER AND LIGHT RESISTANCE; PERMEABILITY; NONSTAINING; COLOR DURABILITY FUJI PHOTO FILM CO., LTD. (JP) 2004-03-30 US disclosed
US-20030222959-A1 AQUEOUS DISPERSION OF NONIONIC OIL SOLUBLE POLYMER AND HYDROPHOBIC HIGH BOILING POINT ORGANIC SOLVENT; WATER AND LIGHT RESISTANCE; PERMEABILITY; NONSTAINING; COLOR DURABILITY FUJIFILM CORPORATION (JP) 2003-12-04 US disclosed