SCHEMBL6566857

SCHEMBL6566857

CC(C)CCC(=O)OC(=O)C(F)(F)F.[Ni]

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.39
MLYCD O95822 2/20 0.33
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
SCHEMBL11234581 0.98 CA1 (0.40) CA1MLYCDALDH1A1
SCHEMBL22605826 0.79 ALDH1A1 (0.38) ALDH1A1
SCHEMBL248538 0.79 CA1 (0.52) CA1ALDH1A1
SCHEMBL27683072 0.78 MMP1 (0.39) ALDH1A1
SCHEMBL21625670 0.77 CA1 (0.39) CA1ALDH1A1
SCHEMBL6150931 0.75 ALDH1A1 (0.61) ALDH1A1
SCHEMBL7551905 0.74 SLC1A1 (0.48) ALDH1A1
SCHEMBL22620067 0.74 ALDH1A1 (0.38) ALDH1A1
SCHEMBL27782600 0.74 ALDH1A1 (0.58) ALDH1A1
SCHEMBL27408380 0.73 FAAH (0.53)

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