SCHEMBL7597533

SCHEMBL7597533

CC(C)=COc1c(Br)cc(Cc2cc(Br)c(OC=C(C)C)c(Br)c2)cc1Br

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 6/20 0.35
PTPN1 P18031 1/20 0.34
THRA P10827 5/20 0.33
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA4 P22748 2/20 0.31
CA6 P23280 2/20 0.31
HRH3 Q9Y5N1 2/20 0.31
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 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
SCHEMBL8373812 0.83 LMNA (0.38) THRBTHRA
SCHEMBL7597523 0.76 ALDH1A1 (0.48) ALOX15TSHRHSD17B10
SCHEMBL7601093 0.74 CA1 (0.32) CA1CA2
SCHEMBL4613709 0.68 HSD17B10 (0.33) ALOX15HSD17B10
SCHEMBL10406340 0.67 THRB (0.38) THRBPTPN1THRAHRH3ALOX15
SCHEMBL6829530 0.64 THRB (0.46) THRBTHRAHRH3TSHR
SCHEMBL6831640 0.64 THRB (0.45) THRBPTPN1THRAHRH3
SCHEMBL7598077 0.63 LMNA (0.43) THRBTSHR
SCHEMBL11186592 0.62 THRB (0.40) THRBTHRAHRH3ALOX15TSHR
SCHEMBL35308 0.62 PTPN1 (0.61) PTPN1CA1CA2CA4CA6

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