Decanoic Acid

Decanoic Acid

SCHEMBL6565571

CCCCCCCCCC(=O)[O-].O=C([O-])C(F)(F)F.[Ni+2]

nearest known ligand 0.69

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FAAH O00519 8/20 0.59
CES1 P23141 5/20 0.59
CES2 O00748 2/20 0.59
MEN1 O00255 1/20 0.59
CYP1A2 P05177 1/20 0.59
KMT2A Q03164 1/20 0.59
HSD17B10 Q99714 1/20 0.59
FABP3 P05413 5/20 0.58
CA1 P00915 1/20 0.56

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
Palmitic Acid SCHEMBL6566724 1.00 FAAH (0.59) FAAHCES1CES2MEN1CYP1A2
Myristic Acid SCHEMBL6563262 1.00 FAAH (0.59) FAAHCES1CES2MEN1CYP1A2
Heptanoate SCHEMBL6563286 1.00 FAAH (0.59) FAAHCES1CES2MEN1CYP1A2
Stearic Acid SCHEMBL9757644 0.88 FABP3 (0.62) FAAHCES1CES2MEN1CYP1A2
Decanoic Acid SCHEMBL5073590 0.87 FABP3 (0.72) CES1CES2FABP3CA1
Stearic Acid SCHEMBL136593 0.87 FABP3 (0.72) CES1CES2FABP3CA1
Decanoic Acid SCHEMBL11681358 0.87 FABP3 (0.72) CES1CES2FABP3CA1
Arachidic Acid SCHEMBL11685179 0.87 FABP3 (0.72) CES1CES2FABP3CA1
Octanoic Acid SCHEMBL675368 0.87 FABP3 (0.72) CES1CES2FABP3CA1
Undecanoate SCHEMBL8372952 0.87 FABP3 (0.72) CES1CES2FABP3CA1

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-0958267-B1 HIGHLY BRANCHED PRIMARY ALCOHOL COMPOSITIONS, AND BIODEGRADABLE DETERGENTS MADE THEREFROM SHELL INT RESEARCH (NL) 2004-03-31 EP disclosed
US-6222077-B1 Dimerized alcohol compositions and biodegradible surfactants made therefrom having cold water detergency SHELL OIL COMPANY 2001-04-24 US disclosed
EP-0958267-A1 HIGHLY BRANCHED PRIMARY ALCOHOL COMPOSITIONS, AND BIODEGRADABLE DETERGENTS MADE THEREFROM SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1999-11-24 EP disclosed
US-5780694-A DIMERIZING AN OLEFIN FEED OF C6-C20 OLEFINS IN THE PRESENCE OF A HOMOGENEOUS CATALYST FOLLOWED BY HYDROFORMYLATION TO OBTAIN BRANCHED ALCOHOLS AS INTERMEDIATES FOR ANIONIC SULFATE AND NONIONIC SURFACTANTS SHELL OIL COMPANY (US) 1998-07-14 US disclosed
WO-1998023566-A1 HIGHLY BRANCHED PRIMARY ALCOHOL COMPOSITIONS, AND BIODEGRADABLE DETERGENTS MADE THEREFROM SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 1998-06-04 WO disclosed
US-4398049-A HYDROCARBYLALUMINUM HALIDE AND MIXED CARBOXYLIC SALT OF NICKEL INSTITUT FRANCAIS DU PETROLE (FR) 1983-08-09 US disclosed
US-4366087-A HYDROCARBYLALUMINUM HALIDE WITH A NICKEL COMPOUND INSTITUT FRANCAIS DU PETROLE (FR) 1982-12-28 US disclosed
US-4316851-A Nickel compounds INSTITUT FRANCAIS DU PETROLE (FR) 1982-02-23 US disclosed