T-Butylacetic Acid

T-Butylacetic Acid

SCHEMBL6567111

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

nearest known ligand 0.42

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Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA4 P22748 2/20 0.42
CASP1 P29466 1/20 0.33
FFAR3 O14843 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
CA2 P00918 1/20 0.31

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
T-Butylacetic Acid SCHEMBL973429 0.84
T-Butylacetic Acid SCHEMBL18258678 0.84 CA4 (0.43) CA4CASP1FFAR3HDAC3HDAC1
T-Butylacetic Acid SCHEMBL4319302 0.84
T-Butylacetic Acid SCHEMBL11218671 0.84
T-Butylacetic Acid SCHEMBL6500330 0.84
T-Butylacetic Acid SCHEMBL6564741 0.83 CA4 (0.41) CA4
T-Butylacetic Acid SCHEMBL3159252 0.81 CA4 (0.42) CA4CASP1FFAR3HDAC3HDAC1
T-Butylacetic Acid SCHEMBL6098037 0.81 CA4 (0.42) CA4CASP1FFAR3HDAC3HDAC1
T-Butylacetic Acid SCHEMBL28123305 0.81 CA4 (0.42) CA4CASP1FFAR3HDAC3HDAC1
T-Butylacetic Acid SCHEMBL7859363 0.79 CA4 (0.40) CA4CASP1FFAR3HDAC3HDAC1

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