SCHEMBL4954683

SCHEMBL4954683

CN(CCC(F)(F)F)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
MLYCD O95822 1/20 0.30
LPAR1 Q92633 1/20 0.30
LPAR5 Q9H1C0 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
SCHEMBL21983596 0.81 CHRM1 (0.37)
SCHEMBL30460140 0.81
SCHEMBL15511516 0.78 NAMPT (0.33) HPGD
SCHEMBL21341479 0.77 RIPK1 (0.38)
SCHEMBL3763074 0.76 NPC1 (0.36) NPC1HPGD
Trifluoroacetic Acid SCHEMBL22157844 0.76 CHRM2 (0.36) MLYCD
SCHEMBL25687091 0.76 MEN1 (0.33)
SCHEMBL966369 0.75 NR1I2 (0.33) NPC1MLYCD
Hydrochloric Acid SCHEMBL30747991 0.73 NR1I2 (0.33) MLYCD
SCHEMBL52755 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040218347-A1 Flame-retardant electrolyte solution for electrochemical double-layer capacitors EPCOS AG (DE) 2004-11-04 US claimed
US-20080131772-A1 ELECTROLYTES, ELECTROLYTE ADDITIVES AND CELLS AIR PRODUCTS AND CHEMICALS, INC. (US) 2008-06-05 US disclosed
US-7348103-B2 Battery comprising anode, cathode, separator and electrolyte; cluster compound containing lithium, boron, fluoride and other halogens or hydrogen; use low concentration, low viscosity, can be recycled; fluorinated lithium borohydride salt AIR PRODUCTS AND CHEMICALS, INC. (US) 2008-03-25 US disclosed
US-7311993-B2 Anode, cathode, separator and electrolyte; lithium, boron, halogen cluster compound AIR PRODUCTS AND CHEMICALS, INC. (US) 2007-12-25 US disclosed
US-20070048605-A1 Stable electrolyte counteranions for electrochemical devices AIR PRODUCTS AND CHEMICALS, INC. 2007-03-01 US disclosed
US-20060216612-A1 Electrolytes, cells and methods of forming passivation layers AIR PRODUCTS AND CHEMICALS, INC. 2006-09-28 US disclosed
US-20060040180-A1 Lithium dodecaborate containing 8-12 fluorine atoms and may containing hydrogen and/or chlorine or bromine atoms; aprotic solvent; can be used at one-half the concentration of other lithium-based salts, e.g., LiPF6; low viscosity, low impedance, lithium electrolyte solutions that can be recycled AIR PRODUCTS AND CHEMICALS, INC. 2006-02-23 US disclosed
US-20050064288-A1 Battery comprising anode, cathode, separator and electrolyte; cluster compound containing lithium, boron, fluoride and other halogens or hydrogen; use low concentration, low viscosity, can be recycled; fluorinated lithium borohydride salt AIR PRODUCTS AND CHEMICALS, INC. 2005-03-24 US disclosed
US-20050053841-A1 Anode, cathode, separator and electrolyte; lithium, boron, halogen cluster compound AIR PRODUCTS AND CHEMICALS, INC. 2005-03-10 US disclosed
US-20040218347-A1 Flame-retardant electrolyte solution for electrochemical double-layer capacitors EPCOS AG (DE) 2004-11-04 US disclosed
WO-2003001623-A2 CONDUCTING SALTS COMPRISING NIOBIUM OR TANTALUM MERCK PATENT GMBH (DE) 2003-01-03 WO disclosed