Dodecylacetate

Dodecylacetate

SCHEMBL7635361

CCCCCCCCCCCCOC(C)=O.CCOCC.OCCOCCO

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.58
THRB P10828 1/20 0.58
HTT P42858 1/20 0.58
KMT2A Q03164 1/20 0.58
MAPT P10636 1/20 0.58
ALDH1A1 P00352 3/20 0.57
TSHR P16473 4/20 0.50
NAAA Q02083 1/20 0.47
CES2 O00748 1/20 0.46
EPHX1 P07099 1/20 0.44
ACHE P22303 4/20 0.42

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
Octyl Acetate SCHEMBL22408892 1.00 MEN1 (0.58) MEN1THRBHTTKMT2AMAPT
Heptylacetate SCHEMBL22408898 1.00 MEN1 (0.58) MEN1THRBHTTKMT2AMAPT
Hexyl Acetate SCHEMBL19064974 0.98 MEN1 (0.61) MEN1THRBHTTKMT2AMAPT
Acetic Acid Pentyl Ester SCHEMBL19064948 0.98 ALDH1A1 (0.59) MEN1THRBHTTKMT2AMAPT
Triethylene Glycol SCHEMBL19064942 0.97 MEN1 (0.58) MEN1THRBHTTKMT2AMAPT
Hexyl Acetate SCHEMBL9694598 0.95 ALDH1A1 (0.59) MEN1THRBHTTKMT2AMAPT
Acetic Acid Pentyl Ester SCHEMBL8810307 0.93 TSHR (0.60) MEN1THRBHTTKMT2AMAPT
Acetic Acid Pentyl Ester SCHEMBL27558530 0.93 ALDH1A1 (0.61) MEN1THRBHTTKMT2AMAPT
Heptylacetate SCHEMBL22444980 0.93 ALDH1A1 (0.61) MEN1THRBHTTKMT2AMAPT
Dodecylacetate SCHEMBL599480 0.93 ALDH1A1 (0.61) MEN1THRBHTTKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934078-B1 PERMEATION ENHANCERS FOR TRANSDERMAL DRUG DELIVERY COMPOSITIONS, DEVICES, AND METHODS ALZA CORP (US) 2002-12-18 EP claimed
US-6004578-A FOR ENHANCING THE PERCUTANEOUS ABSORPTION OF DRUGS WHEN ADMINISTERED TO A BODY SURFACE OR MEMBRANE ALZA CORPORATION (US) 1999-12-21 US claimed
EP-0934078-A2 PERMEATION ENHANCERS FOR TRANSDERMAL DRUG DELIVERY COMPOSITIONS, DEVICES, AND METHODS ALZA CORPORATION (US) 1999-08-11 EP claimed
WO-1998017315-A2 PERMEATION ENHANCERS FOR TRANSDERMAL DRUG DELIVERY COMPOSITIONS, DEVICES, AND METHODS ALZA CORPORATION (US) 1998-04-30 WO claimed
EP-0934078-B1 PERMEATION ENHANCERS FOR TRANSDERMAL DRUG DELIVERY COMPOSITIONS, DEVICES, AND METHODS ALZA CORP (US) 2002-12-18 EP disclosed
US-6004578-A FOR ENHANCING THE PERCUTANEOUS ABSORPTION OF DRUGS WHEN ADMINISTERED TO A BODY SURFACE OR MEMBRANE ALZA CORPORATION (US) 1999-12-21 US disclosed
EP-0934078-A2 PERMEATION ENHANCERS FOR TRANSDERMAL DRUG DELIVERY COMPOSITIONS, DEVICES, AND METHODS ALZA CORPORATION (US) 1999-08-11 EP disclosed
WO-1998017315-A2 PERMEATION ENHANCERS FOR TRANSDERMAL DRUG DELIVERY COMPOSITIONS, DEVICES, AND METHODS ALZA CORPORATION (US) 1998-04-30 WO disclosed