1,6-Hexanediol

1,6-Hexanediol

SCHEMBL8740541

C=C(C)C(=O)OCCCCCCOC(=O)C(=C)C.OCCCCCCO

nearest known ligand 0.71

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.71
POLB P06746 1/20 0.53
APEX1 P27695 1/20 0.53
HTT P42858 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
THRB P10828 1/20 0.52
ACHE P22303 6/20 0.44
ALDH1A1 P00352 4/20 0.40
CYP3A4 P08684 1/20 0.39
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
NAAA Q02083 1/20 0.36
GAA P10253 1/20 0.35
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35

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
SCHEMBL3503948 1.00 TSHR (0.71) TSHRPOLBAPEX1HTTTDP1
1,6-Hexanediol SCHEMBL2679954 1.00 TSHR (0.71) TSHRPOLBAPEX1HTTTDP1
SCHEMBL2763349 1.00 TSHR (0.71) TSHRPOLBAPEX1HTTTDP1
SCHEMBL37007 1.00 TSHR (0.71) TSHRPOLBAPEX1HTTTDP1
SCHEMBL3503114 1.00 TSHR (0.71) TSHRPOLBAPEX1HTTTDP1
SCHEMBL3504159 1.00 TSHR (0.71) TSHRPOLBAPEX1HTTTDP1
SCHEMBL341500 1.00 TSHR (0.71) TSHRPOLBAPEX1HTTTDP1
SCHEMBL25498 1.00 TSHR (0.71) TSHRPOLBAPEX1HTTTDP1
1,6-Hexanediol SCHEMBL18725299 1.00 TSHR (0.71) TSHRPOLBAPEX1HTTTDP1
SCHEMBL3504429 1.00 TSHR (0.71) TSHRPOLBAPEX1HTTTDP1

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
EP-0708801-A4 COATING AND WEARLAYER COMPOSITIONS FOR SURFACE COVERINGS CONGOLEUM CORP (US) 1997-07-02 EP disclosed
EP-0708801-A1 COATING AND WEARLAYER COMPOSITIONS FOR SURFACE COVERINGS CONGOLEUM CORPORATION (US) 1996-05-01 EP disclosed
WO-1994028067-A1 COATING AND WEARLAYER COMPOSITIONS FOR SURFACE COVERINGS CONGOLEUM CORPORATION (US) 1994-12-08 WO disclosed