SCHEMBL3469649

SCHEMBL3469649

CC(=O)P(=O)(OCC(F)(F)F)OCC(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.33
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 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
SCHEMBL4609987 0.79 HTT (0.32) HTT
SCHEMBL4609694 0.79 CYP2C19 (0.32)
SCHEMBL2978260 0.78 HTT (0.34) HTTSMN1; SMN2CA12CA1CA2
SCHEMBL4609292 0.78 HTT (0.34) HTTSMN1; SMN2
SCHEMBL2237839 0.78 HTT (0.34) HTTSMN1; SMN2CA12CA1CA2
SCHEMBL25961666 0.78 CA12 (0.38) HTTCA12CA1CA2CA9
SCHEMBL25961769 0.77 HTT (0.37) HTTSMN1; SMN2CA1CA2CA9
SCHEMBL4612092 0.77 HTT (0.38) HTTSMN1; SMN2
SCHEMBL2240037 0.75 NPC1 (0.37) HTTSMN1; SMN2CA12CA1CA2
SCHEMBL4609200 0.75 HTT (0.32) HTTCA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2237358-B1 Nonaqueous electrolyte battery MITSUBISHI CHEM CORP (JP) 2015-08-12 EP disclosed
EP-2128923-B1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY MITSUBISHI CHEM CORP (JP) 2013-01-16 EP disclosed
US-20120156557-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-06-21 US disclosed
EP-2237358-A1 Nonaqueous electrolyte battery MITSUBISHI CHEMICAL CORPORATION (JP) 2010-10-06 EP disclosed
EP-2128923-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY Mitsubishi Chemical Corporation (JP) 2009-12-02 EP disclosed
EP-1419182-B1 IRON-BASED CATALYST COMPOSITION FOR THE MANUFACTURE OF SYNDIOTACTIC 1,2-POLYBUTADIENE BRIDGESTONE CORP (JP) 2008-10-15 EP disclosed
EP-1419182-A1 IRON-BASED CATALYST COMPOSITION FOR THE MANUFACTURE OF SYNDIOTACTIC 1,2-POLYBUTADIENE Bridgestone Corporation (JP) 2004-05-19 EP disclosed
US-6610804-B2 An iron compound, an alpha-acylphosphonate diester, and an organoaluminum compound BRIDGESTONE CORPORATION (JP) 2003-08-26 US disclosed
US-6576725-B1 Iron compound, organomagnesium compound, and alpha-acylphosphonate diester; addition polymerization BRIDGESTONE CORPORATION (JP) 2003-06-10 US disclosed
US-20030073570-A1 Method of preparing oligomers of conjugated dienes with an iron-based catalyst composition BRIDGESTONE CORP. 2003-04-17 US disclosed
US-20030073790-A1 Iron-based catalyst composition for the manufacture of syndiotactic 1, 2-polybutadiene BRIDGESTONE CORP. 2003-04-17 US disclosed
WO-2003018644-A1 IRON-BASED CATALYST COMPOSITION FOR THE MANUFACTURE OF SYNDIOTACTIC 1,2-POLYBUTADIENE BRIDGESTONE CORPORATION (JP) 2003-03-06 WO disclosed