SCHEMBL6869255

SCHEMBL6869255

CCCC(=O)OCC(=O)OC(C)C1CCCC(C)(C)C1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL6864883 1.00 ALDH1A1 (0.32) ALDH1A1
SCHEMBL1482870 0.90
SCHEMBL20640479 0.90
SCHEMBL22716569 0.90
SCHEMBL1482871 0.90
SCHEMBL17627759 0.90
SCHEMBL29825706 0.90
SCHEMBL19196825 0.90
SCHEMBL22141183 0.89
SCHEMBL5042555 0.86 ADRB2 (0.31)

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-RE38659-E1 Esters with musky odor and their use in perfumery FIRMENICH SA (CH) 2004-11-23 US claimed
EP-1047660-B1 ESTERS WITH MUSKY ODOR AND THEIR USE IN PERFUMERY FIRMENICH & CIE (CH) 2003-01-29 EP claimed
US-6384269-B1 SUCH AS 1-(3,3-DIMETHYL-1-CYCLOHEXYL) ETHOXYCARBONYL) METHYL PROPANATE, FOR USE IN SOAPS, BATH AND SHOWER GELS, SHAMPOOS, DEODORANTS, ANTIPERSPIRANTS, AIR FRESHENERS AND DETERGENTS FIRMENICH SA (CH) 2002-05-07 US claimed