SCHEMBL6468423

SCHEMBL6468423

FC(F)(Br)C(F)(F)Oc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.39
TSHR P16473 2/20 0.39
ALDH1A1 P00352 2/20 0.36
CA4 P22748 1/20 0.36
ALOX15 P16050 1/20 0.34
KCNA3 P22001 1/20 0.33
KIF11 P52732 3/20 0.33
CTNNB1 P35222 1/20 0.32
CA5A P35218 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
GRIN2B Q13224 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
RAB9A P51151 1/20 0.32
NR1H2 P55055 1/20 0.31
BAX Q07812 1/20 0.31
MAOA P21397 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
SCHEMBL6635490 0.83 KIF11 (0.35) TSHRALDH1A1ALOX15KIF11GRIN2B
SCHEMBL6000951 0.82 LTA4H (0.41) LTA4HTSHRALDH1A1CA4KCNA3
SCHEMBL4580791 0.80 KIF11 (0.39) KIF11
SCHEMBL9326176 0.79 LTA4H (0.43) LTA4HTSHRALDH1A1CA4KCNA3
SCHEMBL5309097 0.79 LMNA (0.39) CA4CA5ACA5B
SCHEMBL23825152 0.78 LTA4H (0.38) LTA4HTSHRALDH1A1CA4CA5A
SCHEMBL821312 0.78 CA4 (0.40) LTA4HTSHRALDH1A1CA4ALOX15
SCHEMBL13039942 0.78 CA4 (0.40) LTA4HTSHRALDH1A1CA4ALOX15
SCHEMBL4323037 0.78 CYP2A6 (0.38) ALDH1A1ALOX15KIF11CA5ARAB9A
SCHEMBL10731637 0.78 TSHR (0.38) LTA4HTSHRALDH1A1CA4KCNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5387725-A Chlorinating compounds having acidic protons with a perchloro-alkane and aqueous base in the presence of a tetraalkyl-ammonium hydroxide phase transfer catalyst THE DOW CHEMICAL COMPANY (US) 1995-02-07 US claimed
EP-0611366-A1 CHLORINATION PROCESS, ALKYLATION OF PRODUCTS OF SAID PROCESS AND SOME PRODUCTS THEREOF THE DOW CHEMICAL COMPANY (US) 1994-08-24 EP claimed
WO-1993009074-A2 CHLORINATION PROCESS, ALKYLATION OF PRODUCTS OF SAID PROCESS AND SOME PRODUCTS THEREOF THE DOW CHEMICAL COMPANY (US) 1993-05-13 WO claimed
EP-0893444-B1 Process for reparing 2,2,3,3-tetrafluoro-1,4-benzodioxanes, new o-(2-bromo-1,1,2,2,-tetrafluoroethoxy)-phenols and new2-bromo-1,1,2,2-tetrafuoroethoxy-phenylethers LANXESS DEUTSCHLAND GMBH (DE) 2005-11-02 EP disclosed
EP-0893444-A1 Process for reparing 2,2,3,3-tetrafluoro-1,4-benzodioxanes, new o-(2-bromo-1,1,2,2,-tetrafluoroethoxy)-phenols and new2-bromo-1,1,2,2-tetrafuoroethoxy-phenylethers BAYER AG (DE) 1999-01-27 EP disclosed
US-5578737-A SUBSTITUTED FLUORENES, MONOMERS FOR HIGH PERFORMANCE POLYMERS THE DOW CHEMICAL COMPANY (US) 1996-11-26 US disclosed
US-5387725-A Chlorinating compounds having acidic protons with a perchloro-alkane and aqueous base in the presence of a tetraalkyl-ammonium hydroxide phase transfer catalyst THE DOW CHEMICAL COMPANY (US) 1995-02-07 US disclosed
US-4552984-A SULFONYLATION IN PRESENCE OF BORON TRIFLUORIDE, HYDROGEN FLUORIDE RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1985-11-12 US disclosed
EP-0085265-B1 PROCESS FOR THE PREPARATION OF ALPHA,ALPHA-DIFLUOROALKOXY OR ALPHA,ALPHA-DIFLUOROALKYLTHIOPHENYL KETONES RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1985-05-22 EP disclosed
EP-0052558-B1 AROMATIC BROMOPOLYFLUOROALKYL ETHERS, AND PROCESS FOR THEIR PREPARATION RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-10-03 EP disclosed
US-4446078-A REACTING A POLYHALOALKOXY- OR POLYHALOALKYLTHIOBENZENE WITH A CARBOXYLIC DERIVATIVE, BORON TRIFLUORIDE RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1984-05-01 US disclosed
US-4423249-A APROTIC SOLVENT, METAL HYDROCARBOXIDE, HALOFLUOROALKYL COMPOUND, ETHERIFICATION THE DOW CHEMICAL COMPANY (US) 1983-12-27 US disclosed
EP-0084743-A1 Process for the preparation of alpha, alpha-difluoroalkoxy or alpha, alphadifluoroalkylthiophenyl sulfones RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1983-08-03 EP disclosed
US-4377711-A Novel aromatic bromopolyfluoroalkyl ethers and method for the preparation thereof RHONE-POULENC INDUSTRIES (FR) 1983-03-22 US disclosed
EP-0052558-A1 Aromatic bromopolyfluoroalkyl ethers, and process for their preparation RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1982-05-26 EP disclosed