SCHEMBL8317343

SCHEMBL8317343

CC(Br)(Br)C(Br)(Br)COC(=O)C(=O)O

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
BLM P54132 1/20 0.31
WRN Q14191 1/20 0.31
HIF1A Q16665 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
SCHEMBL2230550 0.77 CYP2C19 (0.35) ALDH1A1CYP2C19
SCHEMBL4557040 0.71 SERPINE1 (0.32)
SCHEMBL16649136 0.68
SCHEMBL1359598 0.67 HTT (0.52) ALDH1A1
SCHEMBL9230926 0.67 ALDH1A1 (0.32) ALDH1A1
SCHEMBL16649086 0.67
SCHEMBL29249714 0.65 FFAR1 (0.36) ALDH1A1
SCHEMBL194973 0.65 MAPK1 (0.45) ALDH1A1HIF1A
SCHEMBL28185718 0.65
Benzene SCHEMBL1877772 0.64 MEN1 (0.52) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998014530-A1 SOLID POLYHALON IMPREGNATION OF OBJECTS FOR FIRE-SUPPRESSION FI-BAN, INC. (US) 1998-04-09 WO claimed
US-5868969-A Solid polyhalon impregnation of objects for fire-suppression FI-BAN, INC. (US) 1999-02-09 US disclosed
WO-1998014530-A1 SOLID POLYHALON IMPREGNATION OF OBJECTS FOR FIRE-SUPPRESSION FI-BAN, INC. (US) 1998-04-09 WO disclosed