1,6-Hexanediol

1,6-Hexanediol

SCHEMBL9893399

OCCCCCCO.OCc1ccc(CO)cc1

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
CA2 P00918 5/20 0.43
VHL P40337 1/20 0.42
ELOC Q15369 1/20 0.42
ELOB Q15370 1/20 0.42
LTA4H P09960 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39

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
SCHEMBL14072862 0.89 CA2 (0.57) TSHRCA2LTA4HLMNAALDH1A1
SCHEMBL241816 0.86 CA2 (0.55) TSHRCA2LTA4HLMNAALDH1A1
SCHEMBL41775 0.83 TSHR (0.67) TSHRPRSS1PRSS2PRSS3CA2
SCHEMBL2329516 0.82 CA2 (0.54) TSHRPRSS1PRSS2PRSS3CA2
SCHEMBL29413339 0.79 TSHR (0.62) TSHRPRSS1PRSS2PRSS3CA2
Fluoride SCHEMBL28282617 0.79 TSHR (0.62) TSHRPRSS1PRSS2PRSS3CA2
SCHEMBL23837668 0.79 CA2 (0.63) CA2LTA4HLMNAALDH1A1HSD17B10
SCHEMBL3424786 0.79 CA2 (0.63) CA2LTA4HLMNAALDH1A1HSD17B10
SCHEMBL4195590 0.79 CA2 (0.63) CA2LTA4HLMNAALDH1A1HSD17B10
SCHEMBL31512262 0.79 CA2 (0.63) CA2LTA4HLMNAALDH1A1HSD17B10

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
US-8841381-B2 Aqueous polyurethane resin dispersion and process for preparing the same UBE INDUSTRIES LTD. (JP) 2014-09-23 US disclosed
EP-2468790-A1 AQUEOUS POLYURETHANE RESIN DISPERSION AND PROCESS FOR PRODUCTION THEREOF Ube Industries, Ltd. (JP) 2012-06-27 EP disclosed
US-20120149841-A1 AQUEOUS POLYURETHANE RESIN DISPERSION AND PROCESS FOR PREPARING THE SAME UBE INDUSTRIES LTD. (JP) 2012-06-14 US disclosed