SCHEMBL672879

SCHEMBL672879

O=[C]C(O)(c1ccccc1)C(Br)(Br)Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.37
CYP2C19 P33261 4/20 0.35
CYP2C9 P11712 3/20 0.35
PTPN1 P18031 1/20 0.35
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
KCNN4 O15554 2/20 0.33
TSHR P16473 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CES2 O00748 2/20 0.33
CES1 P23141 2/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
HIF1A Q16665 1/20 0.33
CYP2D6 P10635 3/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32

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
SCHEMBL27514567 0.80 MAPT (0.42) CYP1A2CYP2C19CYP2C9PTPN1MAPT
SCHEMBL439194 0.73 ALDH1A1 (0.41) CYP1A2CYP2C19CYP2C9PTPN1MAPT
SCHEMBL10344433 0.73 CYP1A2 (0.41) CYP1A2CYP2C19CYP2C9PTPN1MAPT
SCHEMBL4429025 0.70 MAPT (0.45) CYP1A2CYP2C19CYP2C9PTPN1MAPT
SCHEMBL16550589 0.69 TSHR (0.43) CYP1A2CYP2C19CYP2C9PTPN1KCNN4
SCHEMBL160529 0.67 KCNN4 (0.41) CYP1A2CYP2C19PTPN1MAPTKMT2A
SCHEMBL7623485 0.66 CYP1A2 (0.46) CYP1A2CYP2C19CYP2C9PTPN1MAPT
SCHEMBL4278139 0.66 CYP1A2 (0.46) CYP1A2CYP2C19CYP2C9PTPN1MAPT
SCHEMBL608329 0.66 ALDH1A1 (0.53) CYP1A2CYP2C19CYP2C9PTPN1MAPT
SCHEMBL9698748 0.65 CES1 (0.44) CYP1A2CYP2C19CYP2C9PTPN1MAPT

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-8067497-B2 Flame-retardant for engineering thermoplastic applications BROMINE COMPOUNDS LTD. (IL) 2011-11-29 US claimed
EP-1587865-B1 FLAME-RETARDANT FOR ENGINEERING THERMOPLASTIC APPLICATIONS BROMINE COMPOUNDS LTD (IL) 2006-09-13 EP claimed
US-20060148948-A1 Flame-retardant for engineering thermoplastic applications BROMINE COMPOUNDS LTD. (IL) 2006-07-06 US claimed
JP-2006515035-A 2006-05-18 JP claimed
EP-1587865-A1 FLAME-RETARDANT FOR ENGINEERING THERMOPLASTIC APPLICATIONS Bromine Compounds Ltd. (IL) 2005-10-26 EP claimed
WO-2004063263-A1 FLAME-RETARDANT FOR ENGINEERING THERMOPLASTIC APPLICATIONS BROMINE COMPOUNDS LTD. (IL) 2004-07-29 WO claimed
US-8067497-B2 Flame-retardant for engineering thermoplastic applications BROMINE COMPOUNDS LTD. (IL) 2011-11-29 US disclosed
EP-1587865-B1 FLAME-RETARDANT FOR ENGINEERING THERMOPLASTIC APPLICATIONS BROMINE COMPOUNDS LTD (IL) 2006-09-13 EP disclosed
US-20060148948-A1 Flame-retardant for engineering thermoplastic applications BROMINE COMPOUNDS LTD. (IL) 2006-07-06 US disclosed
EP-1587865-A1 FLAME-RETARDANT FOR ENGINEERING THERMOPLASTIC APPLICATIONS Bromine Compounds Ltd. (IL) 2005-10-26 EP disclosed
WO-2004063263-A1 FLAME-RETARDANT FOR ENGINEERING THERMOPLASTIC APPLICATIONS BROMINE COMPOUNDS LTD. (IL) 2004-07-29 WO disclosed