SCHEMBL6544484

SCHEMBL6544484

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

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.30
CES2 O00748 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
SCHEMBL10615765 0.83
SCHEMBL632464 0.79 CA2 (0.37) CA2CES2
SCHEMBL4290490 0.75
SCHEMBL28380123 0.73 THRB (0.31)
SCHEMBL11073322 0.73
SCHEMBL28189814 0.72 CA2 (0.37) CA2CES2
SCHEMBL27892503 0.71 CA2 (0.41) CA2CES2
SCHEMBL344 0.71 CA2 (0.41) CA2CES2
SCHEMBL24543 0.71
SCHEMBL10825859 0.71 ALDH1A1 (0.35) CA2CES2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1280746-B1 PROCESS FOR PREPARATION OF SELECTIVELY BRANCHED DETERGENT PRODUCTS SHELL INT RESEARCH (NL) 2004-08-04 EP disclosed
EP-0958267-B1 HIGHLY BRANCHED PRIMARY ALCOHOL COMPOSITIONS, AND BIODEGRADABLE DETERGENTS MADE THEREFROM SHELL INT RESEARCH (NL) 2004-03-31 EP disclosed
US-6566565-B1 Oligomerizing a lower olefin feed; hydrogenating dienes either before or after oligomerization to reduce impurity; hydroxylation SHELL OIL COMPANY 2003-05-20 US disclosed
EP-1280746-A2 PROCESS FOR PREPARATION OF SELECTIVELY BRANCHED DETERGENT PRODUCTS SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 2003-02-05 EP disclosed
WO-2001085651-A2 PROCESS FOR PREPARATION OF SELECTIVELY BRANCHED DETERGENT PRODUCTS SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2001-11-15 WO 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