SCHEMBL6443619

SCHEMBL6443619

FC1Oc2ccc(Cl)cc2OC1(F)F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.41
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
SLC6A4 P31645 1/20 0.32
HTR2C P28335 2/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
ALPG P10696 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
ALOX12 P18054 1/20 0.31
HSD17B10 Q99714 1/20 0.31
P2RY6 Q15077 2/20 0.31
DRD5 P21918 1/20 0.31
DRD3 P35462 1/20 0.31
MAP3K14 Q99558 2/20 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
SCHEMBL7267845 0.79 BRD4 (0.33) PTGS2KDM4E
SCHEMBL11154285 0.78 SLC6A4 (0.30) SLC6A4
SCHEMBL6449692 0.75 LMNA (0.31) LMNA
SCHEMBL7265427 0.75 ALDH1A1 (0.42) PTGS2KDM4EALDH1A1HSD17B10
SCHEMBL6442096 0.72 AHR (0.50) AHRSLC6A4HTR2CALPGKDM4E
SCHEMBL3861110 0.72 AHR (0.50) AHRSLC6A4HTR2CALPGKDM4E
SCHEMBL14007744 0.71 MAPT (0.42) KDM4EALDH1A1MAPT
SCHEMBL6019273 0.71 PTGS2 (0.34) CA2PTGS2KDM4E
SCHEMBL11157194 0.71 ENPP2 (0.30)
SCHEMBL11154284 0.71 SLC6A4 (0.30) SLC6A4

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