SCHEMBL3625946

SCHEMBL3625946

C=CC(=O)OC(Br)CCBr

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.36
ALDH1A1 P00352 4/20 0.35
TP53 P04637 3/20 0.35
HIF1A Q16665 3/20 0.35
CYP3A4 P08684 2/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.34
HPGD P15428 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
SCHEMBL8970460 0.82 TSHR (0.46) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL2396349 0.77 TSHR (0.50) TSHRHPGD
Dimethylamine SCHEMBL1303183 0.77 TSHR (0.42) TSHRALDH1A1TP53HIF1ACYP3A4
Trimethylammonium SCHEMBL1301313 0.77 TSHR (0.42) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL2441939 0.77
SCHEMBL28430041 0.76 TSHR (0.49) TSHRALDH1A1CYP3A4HPGD
SCHEMBL6896970 0.76 TSHR (0.49) TSHRALDH1A1CYP3A4HPGD
SCHEMBL554461 0.73 TSHR (0.44) TSHRALDH1A1TP53HIF1ACYP3A4
Trimethylammonium SCHEMBL1301957 0.72 TSHR (0.41) TSHRALDH1A1TP53HIF1ACYP3A4
Dimethylamine SCHEMBL1302467 0.72 TSHR (0.41) TSHRALDH1A1TP53HIF1ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1115779-B1 FLAME RETARDANT MICROPOROUS POLYMERIC FOAMS PROCTER & GAMBLE (US) 2010-02-10 EP claimed
JP-4335452-B2 2009-09-30 JP claimed
JP-2002520465-A 2002-07-09 JP claimed
EP-1115779-A1 FLAME RETARDANT MICROPOROUS POLYMERIC FOAMS THE PROCTER & GAMBLE COMPANY (US) 2001-07-18 EP claimed
US-6160028-A Flame retardant microporous polymeric foams THE PROCTER & GAMBLE COMPANY (US) 2000-12-12 US claimed
WO-2000004080-A1 FLAME RETARDANT MICROPOROUS POLYMERIC FOAMS THE PROCTER & GAMBLE COMPANY (US) 2000-01-27 WO claimed
EP-1115779-B1 FLAME RETARDANT MICROPOROUS POLYMERIC FOAMS PROCTER & GAMBLE (US) 2010-02-10 EP disclosed
EP-1115779-A1 FLAME RETARDANT MICROPOROUS POLYMERIC FOAMS THE PROCTER & GAMBLE COMPANY (US) 2001-07-18 EP disclosed
US-6160028-A Flame retardant microporous polymeric foams THE PROCTER & GAMBLE COMPANY (US) 2000-12-12 US disclosed
WO-2000004080-A1 FLAME RETARDANT MICROPOROUS POLYMERIC FOAMS THE PROCTER & GAMBLE COMPANY (US) 2000-01-27 WO disclosed