SCHEMBL21986459

SCHEMBL21986459

CC(CBr)COP(=O)(O)O

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.43
PGK2 P07205 1/20 0.43
PGD P52209 4/20 0.41
MPI P34949 1/20 0.41
LPAR1 Q92633 5/20 0.37
LPAR5 Q9H1C0 1/20 0.37
LPAR3 Q9UBY5 5/20 0.36
LPAR2 Q9HBW0 2/20 0.34

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
SCHEMBL13804308 0.79 PGK1 (0.45) PGK1PGK2PGDMPILPAR1
SCHEMBL2471542 0.79 PGK1 (0.45) PGK1PGK2PGDMPILPAR1
SCHEMBL13176768 0.79 PGK1 (0.45) PGK1PGK2PGDMPILPAR1
SCHEMBL3340729 0.78
SCHEMBL3344505 0.78
SCHEMBL3340803 0.78
SCHEMBL11617334 0.77 PGK1 (0.43) PGK1PGK2PGDMPILPAR1
SCHEMBL8858246 0.77 PGK1 (0.43) PGK1PGK2PGDMPILPAR1
SCHEMBL10881468 0.77 PGD (0.44) PGK1PGK2PGDMPILPAR1
SCHEMBL27945251 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3658616-A1 HALOGEN-FREE SULPHONIC ACID ESTER AND/OR SULPHINIC ACID ESTER AS FLAME RETARDANT, FLAME RETARDANT SYNERGISTS AND RADICAL GENERATORS IN PLASTICS Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2020-06-03 EP claimed