SCHEMBL3628975

SCHEMBL3628975

BrC(Br)c1cccc(C(Br)Br)n1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 2/20 0.39
PGK2 P07205 2/20 0.39
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
Bromide SCHEMBL6996116 0.97 PGK1 (0.38) PGK1PGK2ALDH1A1CYP1A2CYP2C9
SCHEMBL8908404 0.86 CCR1 (0.40) PGK1PGK2ALDH1A1CYP1A2CYP2C9
SCHEMBL10753873 0.82 PGK1 (0.33) PGK1PGK2
SCHEMBL7419647 0.75 KDM4E (0.61) ALDH1A1
SCHEMBL9640626 0.73 KDM4E (0.63) ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL1129147 0.69 NCF1 (0.46) ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL331474 0.69
SCHEMBL3298262 0.69 PGK1 (0.50) PGK1PGK2ALDH1A1
SCHEMBL7948322 0.69 PGK1 (0.44) PGK1PGK2
SCHEMBL786336 0.69 PGK1 (0.39) PGK1PGK2ALDH1A1CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2216372-B1 Compounds for preventing Ghost odour THOR GMBH (DE) 2014-06-04 EP disclosed
US-8287631-B2 Compounds for preventing ghost odour THOR GMBH (DE) 2012-10-16 US disclosed
EP-2216372-A1 Compounds for preventing Ghost odour THOR GmbH (DE) 2010-08-11 EP disclosed
US-20100186631-A1 Compounds for preventing ghost odour THOR GMBH (DE) 2010-07-29 US disclosed