SCHEMBL6443536

SCHEMBL6443536

COc1ccccc1OC(F)(F)C(F)F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.54
CA2 P00918 3/20 0.54
CA7 P43166 2/20 0.54
CA9 Q16790 2/20 0.54
CA12 O43570 1/20 0.54
CA4 P22748 1/20 0.54
CA14 Q9ULX7 1/20 0.54
ALDH1A1 P00352 4/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
MAPK1 P28482 2/20 0.43
HTT P42858 1/20 0.43
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
HSP90AA1 P07900 1/20 0.41
GAA P10253 1/20 0.41
NCOA1 Q15788 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL2164875 0.89 TSHR (0.39) CA1CA2CA7CA9CA12
SCHEMBL30881973 0.89 TSHR (0.39) CA1CA2CA7CA9CA12
SCHEMBL6445429 0.81 NQO1 (0.46) CA1CA2CA7CA9CA12
SCHEMBL29435933 0.80 CA1 (0.62) CA1CA2CA7CA9CA12
SCHEMBL625622 0.80 CA1 (0.62) CA1CA2CA7CA9CA12
SCHEMBL6296270 0.79 TSHR (0.39) ALDH1A1L3MBTL1MAPK1KMT2AKDM4E
SCHEMBL3724176 0.79 L3MBTL1 (0.47) ALDH1A1L3MBTL1MAPTTDP1CYP1A2
SCHEMBL13141612 0.78 TDP1 (0.40) CA2ALDH1A1MAPK1MAPTKDM4E
SCHEMBL7524628 0.77 TSHR (0.39) ALDH1A1L3MBTL1MAPK1HTTMAPT
SCHEMBL14388549 0.77 TSHR (0.36) ALDH1A1L3MBTL1MAPK1HTTMAPT

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