SCHEMBL6563244

SCHEMBL6563244

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

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
USP2 O75604 1/20 0.31
TSHR P16473 1/20 0.31
SOAT1 P35610 1/20 0.30

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
SCHEMBL6132328 0.98 CA2 (0.35) CA1CA2USP2TSHRSOAT1
SCHEMBL6567059 0.86 CA2 (0.56) CA1CA2USP2TSHR
SCHEMBL6566785 0.79 CA1 (0.38) CA1CA2USP2TSHRSOAT1
SCHEMBL6497837 0.78 CA2 (0.41) CA1CA2USP2TSHRSOAT1
SCHEMBL27897566 0.77 CA2 (0.39) CA1CA2USP2TSHRSOAT1
SCHEMBL247701 0.77 CA2 (0.44) CA1CA2USP2TSHRSOAT1
SCHEMBL7923174 0.73 CA2 (0.39) CA1CA2USP2TSHRSOAT1
SCHEMBL30881127 0.71 CA2 (0.35) CA1CA2
SCHEMBL4631695 0.70 CA2 (0.40) CA1CA2USP2TSHRSOAT1
SCHEMBL7153541 0.70 LMNA (0.32) TSHR

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