SCHEMBL4292096

SCHEMBL4292096

CCCCC(I)CCCC(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
CA2 P00918 3/20 0.32
CES2 O00748 2/20 0.32
CA1 P00915 2/20 0.32
LPAR1 Q92633 1/20 0.32
LPAR3 Q9UBY5 1/20 0.32
FDPS P14324 2/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DNM1 Q05193 2/20 0.32
FAAH O00519 5/20 0.31
MAPK1 P28482 1/20 0.31
CES1 P23141 3/20 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
SCHEMBL4781381 0.91
SCHEMBL4673172 0.84
SCHEMBL19861724 0.81 ALDH1A1 (0.46) ALDH1A1CA2CES2CA1LPAR1
SCHEMBL1001179 0.80 DNM1 (0.45) ALDH1A1CA2CA1FDPSTSHR
SCHEMBL20376061 0.79 ACE2 (0.41) ALDH1A1CA2CES2CA1LPAR1
SCHEMBL19861785 0.77 ALDH1A1 (0.54) ALDH1A1CA2CA1TSHRMAPK1
SCHEMBL1678825 0.77 FDPS (0.37) CA2CES2CA1LPAR1LPAR3
Hydrogen Sulfide SCHEMBL11060032 0.77 DNM1 (0.43) ALDH1A1CA2CA1FDPSTSHR
SCHEMBL26976460 0.76 ALDH1A1 (0.32) ALDH1A1CA2CES2CA1LPAR1
SCHEMBL1001865 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2081887-A2 PRODUCTION PROCESSES AND SYSTEMS, COMPOSITIONS, SURFACTANTS MONOMER UNITS, METAL COMPLEXES, PHOSPHATE ESTERS, GLYCOLS, AQUEOUS FILM FORMING FOAMS AND FOAM STABILIZERS GREAT LAKES CHEMICAL CORPORATION (US) 2009-07-29 EP disclosed
WO-2008027604-A2 PRODUCTION PROCESSES AND SYSTEMS, COMPOSITIONS, SURFACTANTS MONOMER UNITS, METAL COMPLEXES, PHOSPHATE ESTERS, GLYCOLS, AQUEOUS FILM FORMING FOAMS AND FOAM STABILIZERS GREAT LAKES CHEMICAL CORPORATION (US) 2008-03-06 WO disclosed
CN-1965067-A Methods and systems for making, compositions, surfactants, monomer units, metal complexes, phosphate esters, glycols, aqueous film-forming foams, and foam stabilizers PCBU SERVICES INC (US) 2007-05-16 CN disclosed
CN-1960958-A Production processes and systems, compositions, surfactants, monomer units, metal complexes, phosphate esters, glycols, aqueous film forming foams, and foams stabilizers GREAT LAKES CHEMICAL CORP (US) 2007-05-09 CN disclosed
CN-1957078-A Production processes and systems, compositions, surfactants, monomer units, metal complexes, phosphate esters, glycols, aqueous film forming foams, and foams stabilizers PCBU SERVICES INC (US) 2007-05-02 CN disclosed
CN-1938414-A Production processes and systems, compositions, surfactants, monomer units, metal complexes, phosphate esters, glycols, aqueous film-forming foams, and foam stabilizers PCBU SERVICES INC (US) 2007-03-28 CN disclosed