SCHEMBL8991041

SCHEMBL8991041

FC(F)(F)C(Cl)(Cl)Oc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
LTA4H P09960 1/20 0.38
ALDH1A1 P00352 2/20 0.35
CA4 P22748 1/20 0.35
KCNA3 P22001 1/20 0.32
MLYCD O95822 1/20 0.32
KIF11 P52732 1/20 0.32
CA5A P35218 1/20 0.31
CA5B Q9Y2D0 1/20 0.31
POLB P06746 1/20 0.31
PDK1 Q15118 1/20 0.31
PDK2 Q15119 1/20 0.31
PDK3 Q15120 1/20 0.31
PDK4 Q16654 1/20 0.31
GRIN2B Q13224 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
RAB9A P51151 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
SCHEMBL10750142 0.87 MAPT (0.34) TSHRALDH1A1RAB9A
SCHEMBL10489117 0.80 LTA4H (0.41) TSHRLTA4HALDH1A1CA4KCNA3
SCHEMBL8993692 0.80 TSHR (0.41) TSHRLTA4HALDH1A1CA4KCNA3
SCHEMBL4532633 0.80 ALDH1A1 (0.43) TSHRLTA4HALDH1A1CA4KCNA3
SCHEMBL8649157 0.79 PPARA (0.42) TSHR
SCHEMBL10641834 0.79 GAA (0.40) ALDH1A1
SCHEMBL10750134 0.78 CA12 (0.32) TSHRALDH1A1CA4
SCHEMBL9870824 0.77 TSHR (0.37) TSHRKIF11
SCHEMBL10603953 0.76 TSHR (0.38) TSHRLTA4HALDH1A1CA4KCNA3
SCHEMBL15153656 0.76 TSHR (0.38) TSHRLTA4HALDH1A1CA4KCNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4643811-A PHOTOCHLORINATION RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1987-02-17 US claimed
EP-0567847-B1 Halogenation process in advantageous solvents BAYER AG (DE) 1996-09-18 EP disclosed
EP-0567848-B1 Process for the alpha-chlorination of arylethern BAYER AG (DE) 1996-07-17 EP disclosed
US-5484932-A Halogenation processes in advantageous solvents, and novel bistrifluoromethyl-polyfluoroalkoxybenzenes BAYER AKTIENGESELLSCHAFT (DE) 1996-01-16 US disclosed
US-5300201-A Mixing with chlorine, irradiating; selective formation of 4-chloro phthalic anhydride OCCIDENTAL CHEMICAL CORPORATION (US) 1994-04-05 US disclosed
EP-0567848-A1 Process for the alpha-chlorination of arylethern BAYER AG (DE) 1993-11-03 EP disclosed
EP-0567847-A1 Halogenation process in advantageous solvents BAYER AG (DE) 1993-11-03 EP disclosed
US-4837364-A REACTION OF HALOBENZENE WITH TRIFLUOROETHANOL RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1989-06-06 US disclosed
EP-0197869-B1 PROCESS FOR THE PREPARATION OF PENTAFLUOROETHOXY- AND PENTAFLUOROETHYL THIOBENZENE DERIVATIVES RHONE-POULENC CHIMIE (FR) 1989-05-31 EP disclosed
EP-0199660-B1 PROCESS FOR THE PREPARATION OF AROMATIC 1,1-DIFLUOROPERHALOALKOXY OR 1,1-DIFLUOROPERHALOTHIOALKYL DERIVATIVES RHONE-POULENC CHIMIE (FR) 1989-02-08 EP disclosed
EP-0197868-B1 PROCESS FOR THE PREPARATION OF DICHLOROTRIFLUOROETHOXY AND ETHYLTHIOAROMATIC DERIVATIVES RHONE-POULENC CHIMIE (FR) 1988-05-18 EP disclosed
US-4727187-A CATALYTIC FLUORINATION OF DICHLOROALKYL PHENYL ETHER CIBA-GEIGY CORPORATION (US) 1988-02-23 US disclosed
US-4643811-A PHOTOCHLORINATION RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1987-02-17 US disclosed
US-4643811-A PHOTOCHLORINATION RHONE-POULENC SPECIALITES CHIMIQUES (FR) 1987-02-17 US disclosed
EP-0199660-A1 Process for the preparation of aromatic 1,1-difluoroperhaloalkoxy or 1,1-difluoroperhalothioalkyl derivatives RHONE-POULENC CHIMIE (FR) 1986-10-29 EP disclosed
EP-0197869-A1 Process for the preparation of pentafluoroethoxy- and pentafluoroethyl thiobenzene derivatives RHONE-POULENC CHIMIE (FR) 1986-10-15 EP disclosed