SCHEMBL7601093

SCHEMBL7601093

CC(C)=COc1c(Br)cc(S(=O)(=O)c2cc(Br)c(OC=C(C)C)c(Br)c2)cc1Br

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
CA3 P07451 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
SCHEMBL7597533 0.74 THRB (0.35) CA1CA2
SCHEMBL7597523 0.73 ALDH1A1 (0.48)
SCHEMBL11564130 0.72 CA2 (0.46) CA1CA2CA9POLBMAPT
SCHEMBL484043 0.69 CA1 (0.31) CA1CA2CA9CA3
SCHEMBL14175572 0.69 MAPT (0.43) CA2POLBMAPTPKM
SCHEMBL11482792 0.69 MAPT (0.36) CA1CA2CA9POLBMAPT
SCHEMBL23332926 0.68 THRB (0.51) CA1CA2CA9PKM
SCHEMBL4613709 0.66 HSD17B10 (0.33)
SCHEMBL11578752 0.66 THRB (0.40)
SCHEMBL11566260 0.66 THRB (0.34) CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0913381-B1 Method for purifying a bromine compound TEIJIN CHEMICALS LTD (JP) 2002-12-11 EP disclosed
US-6333437-B1 SUPPLYING CRUDE SOLUTION AND POOR SOLVENT FOR BROMINE COMPOUND INTO VESSEL CONTAINING SLURRY OF PARTICLES OF BROMINE COMPOUND TO DEPOSIT PARTICLES IN SLURRY UNDER AGITATION, EXTRACTING SLURRY FROM VESSEL, SEPARATING SOLID PARTICLES TEIJIN CHEMICALS LTD (JP) 2001-12-25 US disclosed
US-5998674-A BROMINATING AN UNSATURATED BOND; HEAT GENERATED BY REACTION IS USED TO VAPORIZE SOLVENT TEIJIN CHEMICALS, LTD. (JP) 1999-12-07 US disclosed
EP-0913381-A1 Method for purifying a bromine compound Teijin Chemicals, Ltd. (JP) 1999-05-06 EP disclosed
EP-0899254-A2 Bromine compound production method Teijin Chemicals, Ltd. (JP) 1999-03-03 EP disclosed