SCHEMBL6442340

SCHEMBL6442340

Cc1ccc(OC(F)(F)C(F)F)c(O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
AR P10275 1/20 0.43
TRPA1 O75762 2/20 0.42
LMNA P02545 3/20 0.40
CHRM1 P11229 1/20 0.40
SLC6A2 P23975 1/20 0.40
ADRA1A P35348 1/20 0.40
HTR2B P41595 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
POLB P06746 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 4/20 0.38
HTT P42858 2/20 0.38
MEN1 O00255 2/20 0.38
HPGD P15428 2/20 0.38
ALOX15 P16050 2/20 0.38
KMT2A Q03164 2/20 0.38
TP53 P04637 1/20 0.36
ACHE P22303 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL14553749 0.83 TRPA1 (0.46) ALDH1A1ARTRPA1LMNACHRM1
SCHEMBL6441756 0.79 AR (0.43) ALDH1A1ARTRPA1LMNACHRM1
SCHEMBL20714791 0.76 ALDH1A1 (0.38) ALDH1A1LMNASLC6A2TDP1POLB
SCHEMBL13717048 0.76 TRPA1 (0.46) ALDH1A1ARTRPA1LMNACHRM1
SCHEMBL14121796 0.76 ALDH1A1 (0.51) ALDH1A1ARTRPA1LMNACHRM1
SCHEMBL4790420 0.73 TSHR (0.45) ALDH1A1ARLMNATDP1POLB
SCHEMBL13971412 0.72 TRPA1 (0.52) ALDH1A1ARTRPA1LMNACHRM1
SCHEMBL10498009 0.72 TSHR (0.54) ALDH1A1LMNATDP1MAPTMEN1
SCHEMBL10292484 0.72 TRPA1 (0.56) ALDH1A1ARTRPA1LMNACHRM1
SCHEMBL6440976 0.71 ALDH1A1 (0.37) ALDH1A1LMNATDP1POLBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-5936102-A CYCLOCONDENSING O-(2-BROMOTETRAFLUOROETHOXY)PHENOL IN THE PRESENCE OF ACID BINDER BAYER AKTIENGESELLSCHAFT (DE) 1999-08-10 US 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