SCHEMBL6565575

SCHEMBL6565575

CCCCCCCCCC(=O)OC(=O)C(F)(F)F.[Ni]

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FAAH O00519 11/20 0.55
CES1 P23141 7/20 0.55
CES2 O00748 3/20 0.55
MEN1 O00255 1/20 0.55
CYP1A2 P05177 1/20 0.55
KMT2A Q03164 1/20 0.55
HSD17B10 Q99714 1/20 0.55
DGKA P23743 1/20 0.50
LMNA P02545 2/20 0.47
PAM P19021 2/20 0.46

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
SCHEMBL6563288 1.00 FAAH (0.55) FAAHCES1CES2MEN1CYP1A2
SCHEMBL6566731 1.00 FAAH (0.55) FAAHCES1CES2MEN1CYP1A2
SCHEMBL6563292 1.00 FAAH (0.55) FAAHCES1CES2MEN1CYP1A2
SCHEMBL6563264 1.00 FAAH (0.55) FAAHCES1CES2MEN1CYP1A2
SCHEMBL11293992 0.98 FAAH (0.57) FAAHCES1CES2MEN1CYP1A2
SCHEMBL6624090 0.98 FAAH (0.57) FAAHCES1CES2MEN1CYP1A2
SCHEMBL10499113 0.98 FAAH (0.57) FAAHCES1CES2MEN1CYP1A2
SCHEMBL6619179 0.98 FAAH (0.57) FAAHCES1CES2MEN1CYP1A2
SCHEMBL31140192 0.98 FAAH (0.57) FAAHCES1CES2MEN1CYP1A2
SCHEMBL4631696 0.98 FAAH (0.57) FAAHCES1CES2MEN1CYP1A2

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 10 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
CN-1090599-C Highly branched primary alcohol compositions, and biodegradable detergents made therefrom SHELL INT RESEARCH (NL) 2002-09-11 CN disclosed
US-6222077-B1 Dimerized alcohol compositions and biodegradible surfactants made therefrom having cold water detergency SHELL OIL COMPANY 2001-04-24 US disclosed
CN-1238749-A Highly branched primary alcohol compositions and biodegradable detergents made therefrom SHELL INT RESEARCH (NL) 1999-12-15 CN 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