SCHEMBL3715702

SCHEMBL3715702

C=CC(=O)OC(C)CC(COP(=O)(O)O)[N+](C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
PGK1 P00558 1/20 0.33
PGK2 P07205 1/20 0.33
PGD P52209 3/20 0.31
MPI P34949 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
SCHEMBL28504236 0.85 TSHR (0.33) TSHRPGK1PGK2
SCHEMBL28639879 0.85 TSHR (0.33) TSHRPGK1PGK2
SCHEMBL20378005 0.85 PGK1 (0.32) PGK1PGK2PGDMPI
SCHEMBL20495976 0.85 PGK1 (0.32) PGK1PGK2PGDMPI
SCHEMBL31055781 0.82 TSHR (0.44) TSHRPGK1PGK2PGDMPI
SCHEMBL288371 0.82 TSHR (0.44) TSHRPGK1PGK2PGDMPI
SCHEMBL27040300 0.81 TSHR (0.43) TSHRPGK1PGK2PGDMPI
SCHEMBL27885526 0.81 TSHR (0.43) TSHRPGK1PGK2PGDMPI
SCHEMBL27040272 0.81 TSHR (0.43) TSHRPGK1PGK2PGDMPI
SCHEMBL21456888 0.80 TSHR (0.38) TSHRPGK1PGK2PGDMPI

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
WO-2010133612-A1 MEMBRANES HAVING IMPROVED PERFORMANCE GAMBRO LUNDIA AB (SE) 2010-11-25 WO disclosed