1,6-Hexanediol

SCHEMBL8720478

CC(O)CCC(C)O.CC(O)CCCCO.CCC(O)CC(C)O.CCC(O)CCCO.CCCC(C)(O)CCO.OCCCCCCO

nearest known ligand 0.31

Predicted protein targets (top 6)

	gene	UniProt	supporting neighbours	confidence
▸	PSMD14	O00487	2/20	0.31

▸	PLA2G1B	P04054	2/20	0.31

▸	MMP2	P08253	2/20	0.31

▸	ATG4B	Q9Y4P1	2/20	0.31

▸	HSP90AA1	P07900	1/20	0.31

▸	RAD52	P43351	1/20	0.31

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.

Compound	similarity	top predicted	shared targets
1,6-Hexanediol SCHEMBL8722075	0.94	PSMD14 (0.34)	PSMD14PLA2G1BMMP2ATG4BHSP90AA1
SCHEMBL8370918	0.84	PSMD14 (0.30)	PSMD14PLA2G1BMMP2ATG4BHSP90AA1
SCHEMBL1080353	0.76	PSMD14 (0.38)	PSMD14PLA2G1BMMP2ATG4BHSP90AA1
SCHEMBL5584047	0.71	ACACB (0.33)	—
SCHEMBL28299841	0.70	ALDH1A1 (0.33)	—
Nonanol SCHEMBL28172333	0.69	PSMD14 (0.45)	PSMD14PLA2G1BMMP2ATG4BHSP90AA1
SCHEMBL16074870	0.69	ACACB (0.41)	PSMD14PLA2G1BMMP2ATG4BHSP90AA1
SCHEMBL16074759	0.69	ACACB (0.41)	PSMD14PLA2G1BMMP2ATG4BHSP90AA1
SCHEMBL16074833	0.69	ACACB (0.41)	PSMD14PLA2G1BMMP2ATG4BHSP90AA1
SCHEMBL16074750	0.69	ACACB (0.41)	PSMD14PLA2G1BMMP2ATG4BHSP90AA1

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-0839180-A1	CONCENTRATED, STABLE FABRIC SOFTENING COMPOSITIONS INCLUDING CHELANTS	THE PROCTER & GAMBLE COMPANY (US)	1998-05-06	—	—	EP	disclosed
WO-1997003172-A1	CONCENTRATED, STABLE FABRIC SOFTENING COMPOSITIONS INCLUDING CHELANTS	THE PROCTER & GAMBLE COMPANY (US)	1997-01-30	—	—	WO	disclosed