SCHEMBL6689808

SCHEMBL6689808

O=C(O)c1c(Br)c(Br)c(C(Br)(Br)Br)c(C(Br)(Br)Br)c1C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.32
F2 P00734 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
TSHR P16473 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 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
SCHEMBL38657125 0.84 F2 (0.36) CYP1A2F2PRSS1PRSS2PRSS3
SCHEMBL29514787 0.74 CYP1A2 (0.45) CYP1A2F2PRSS1PRSS2PRSS3
SCHEMBL35828 0.74 CYP1A2 (0.45) CYP1A2F2PRSS1PRSS2PRSS3
SCHEMBL28626737 0.72 F2 (0.43) CYP1A2F2PRSS1PRSS2PRSS3
SCHEMBL9686290 0.72 F2 (0.43) CYP1A2F2PRSS1PRSS2PRSS3
SCHEMBL9419232 0.72 CYP1A2 (0.43) CYP1A2F2PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL10627844 0.72 F2 (0.43) CYP1A2F2PRSS1PRSS2PRSS3
Ammonia Solution, Strong SCHEMBL11581673 0.72 F2 (0.43) CYP1A2F2PRSS1PRSS2PRSS3
SCHEMBL5704041 0.72 F2 (0.43) CYP1A2F2PRSS1PRSS2PRSS3
SCHEMBL11014460 0.72 F2 (0.43) CYP1A2F2PRSS1PRSS2PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004094517-A1 FLAME RETARDED STYRENIC POLYMER FOAMS ALBEMARLE CORPORATION (US) 2004-11-04 WO disclosed
US-20040209967-A1 FLAME RETARDED STYRENIC POLYMER FOAMS ALBEMARLE CORPORATION 2004-10-21 US disclosed