SCHEMBL854471

SCHEMBL854471

O=C1OC(=O)c2c(Br)cc(F)cc21

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
ALOX15 P16050 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GAA P10253 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
SCHEMBL854142 0.79 CA1 (0.46) TSHRALOX15TDP1
SCHEMBL854628 0.79 TGM2 (0.38) TSHRALOX15TDP1
SCHEMBL31443779 0.76 ESR2 (0.44) TSHRALOX15TDP1GAA
SCHEMBL855592 0.76 ALDH1A1 (0.38) TSHRALOX15TDP1
SCHEMBL28283847 0.73 ALOX15 (0.32) ALOX15TDP1
SCHEMBL29768809 0.72 TSHR (0.42) TSHRALOX15TDP1
SCHEMBL127904 0.72 TSHR (0.42) TSHRALOX15TDP1
SCHEMBL26183091 0.72 TSHR (0.38) TSHRALOX15TDP1
SCHEMBL30451169 0.72 TSHR (0.38) TSHRALOX15TDP1
SCHEMBL18016212 0.72 ALDH1A1 (0.37) TSHRALOX15TDP1

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
US-8604221-B2 Production method of halogen-substituted phthalide SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-12-10 US disclosed
US-20120142946-A1 PRODUCTION METHOD OF HALOGEN-SUBSTITUTED PHTHALIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-06-07 US disclosed
EP-2433933-A1 PRODUCTION METHOD OF HALOGEN-SUBSTITUTED PHTHALIDE Sumitomo Chemical Company, Limited (JP) 2012-03-28 EP disclosed