1,6-Hexanediol

1,6-Hexanediol

SCHEMBL28215460

O=C(O)c1cccc(C(=O)OS(=O)(=O)O)c1.OCCCCCCO

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.43
CYP4A11 Q02928 3/20 0.43
CYP2C19 P33261 1/20 0.43
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
CA12 O43570 1/20 0.39
CA6 P23280 1/20 0.39
FOLH1 Q04609 1/20 0.38
AKR1C3 P42330 1/20 0.38
KMT2A Q03164 1/20 0.37
NR4A2 P43354 1/20 0.37
KMO O15229 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL1269299 0.89 CA1 (0.47) CA1CA2CA9CA12CA6
Ammonia Solution, Strong SCHEMBL26113186 0.88 CA1 (0.46) CA1CA2CA9CA12CA6
SCHEMBL1683497 0.88 CA1 (0.46) CA1CA2CA9CA12CA6
Phthalic Acid SCHEMBL15388446 0.86 KDM4E (0.42) CYP2C19CA1CA2CA9CA12
SCHEMBL27549562 0.84 CA1 (0.43) CA1CA2CA9CA12CA6
Isophthalic Acid SCHEMBL28550985 0.83 CYP2C19 (0.49) CYP2C19CA1CA2CA9CA12
SCHEMBL6679381 0.82 POLB (0.43) CYP4F2CYP4A11CA1CA2CA9
Isophthalic Acid SCHEMBL3673276 0.82 CA12 (0.54) CYP2C19CA1CA2CA9CA12
Isophthalic Acid SCHEMBL28537009 0.81 CYP2C19 (0.50) CYP2C19CA1CA2CA9CA12
Isophthalic Acid SCHEMBL4651781 0.80 CA12 (0.56) CYP2C19CA1CA2CA9CA12

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
CN-105440240-B Prepare the continuous production method of aqueous polyurethane ionomer and its dispersion 上海华峰材料科技研究院(有限合伙) 2019-04-05 CN claimed
CN-107903377-A Solvent-free sulfonate aqueous polyurethane dispersion of continous way and preparation method thereof 上海华峰新材料研发科技有限公司 2018-04-13 CN claimed
CN-107903377-A Solvent-free sulfonate aqueous polyurethane dispersion of continous way and preparation method thereof 上海华峰新材料研发科技有限公司 2018-04-13 CN disclosed