SCHEMBL4808940

SCHEMBL4808940

BrC(Br)C(Br)C(Br)C(Br)C(Br)C(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
TRPA1 O75762 1/20 0.39
DPP4 P27487 2/20 0.36
F2 P00734 1/20 0.36
TSHR P16473 1/20 0.36
LMNA P02545 1/20 0.34
TAAR1 Q96RJ0 2/20 0.33
HTR2A P28223 2/20 0.33
SRC P12931 2/20 0.32
CYP2D6 P10635 1/20 0.32
MIF P14174 2/20 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
SCHEMBL5968382 0.97 CES2 (0.41) CES2CES1TRPA1DPP4F2
SCHEMBL653872 0.78 CES2 (0.46) CES2CES1TRPA1DPP4F2
SCHEMBL448348 0.71 DPP4 (0.53) CES2CES1DPP4F2TSHR
SCHEMBL5968305 0.70 CES2 (0.44) CES2CES1TRPA1DPP4F2
SCHEMBL28346122 0.68 DPP4 (0.50) CES2CES1DPP4F2TSHR
SCHEMBL5968497 0.67 CES2 (0.46) CES2CES1TRPA1DPP4F2
SCHEMBL7868855 0.67 CES2 (0.46) CES2CES1TRPA1DPP4F2
SCHEMBL4807982 0.67 KCNN4 (0.33) TSHR
SCHEMBL4456759 0.66 CES2 (0.50) CES2CES1TRPA1DPP4F2
SCHEMBL13590015 0.66 CES2 (0.50) CES2CES1TRPA1DPP4F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7059382-B2 Method of incorporating brominated compounds as additives to expanded polystyrene molded patterns for use in lost foam aluminum casting GENERAL MOTORS CORPORATION (US) 2006-06-13 US claimed
US-20050043464-A1 Method of incorporating brominated compounds as additives to expanded polystyrene molded patterns for use in lost foam aluminum casting GM Global Technology Operations LLC 2005-02-24 US claimed
US-7405254-B2 Brominated anionic styrenic polymer, and decabromodiphenylpropane or decabromodiphenylethane ALBEMARLE CORPORATION (US) 2008-07-29 US disclosed
EP-1711555-B1 FLAME RETARDANT COMPOSITIONS AND THEIR USE ALBEMARLE CORP (US) 2008-07-09 EP disclosed
US-20070117904-A1 Flame Retardant Compositions and Their Use ALBEMARLE CORPORATION (US) 2007-05-24 US disclosed
US-7202296-B2 Flame retardant compositions and their use ALBEMARLE CORPORATION (US) 2007-04-10 US disclosed
EP-1711555-A1 FLAME RETARDANT COMPOSITIONS AND THEIR USE ALBEMARLE CORPORATION (US) 2006-10-18 EP disclosed
US-7059382-B2 Method of incorporating brominated compounds as additives to expanded polystyrene molded patterns for use in lost foam aluminum casting GENERAL MOTORS CORPORATION (US) 2006-06-13 US disclosed
WO-2005063869-A1 FLAME RETARDANT COMPOSITIONS AND THEIR USE ALBEMARLE CORPORATION (US) 2005-07-14 WO disclosed
US-20050137311-A1 Flame retardant compositions and their use ALBEMARLE CORPORATION 2005-06-23 US disclosed
US-20050043464-A1 Method of incorporating brominated compounds as additives to expanded polystyrene molded patterns for use in lost foam aluminum casting GM Global Technology Operations LLC 2005-02-24 US disclosed