SCHEMBL10580976

SCHEMBL10580976

CC(=O)C(C)(P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
FDPS P14324 2/20 0.43
PGK1 P00558 1/20 0.35
PGK2 P07205 1/20 0.35
CA2 P00918 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
SCHEMBL8838818 0.75 LMNA (0.45) LMNAFDPSPGK1PGK2CA2
SCHEMBL2087244 0.75 LMNA (0.45) LMNAFDPSPGK1PGK2CA2
SCHEMBL11340035 0.73 FDPS (0.48) LMNAFDPSPGK1PGK2CA2
SCHEMBL8623833 0.69 LMNA (0.45) LMNAFDPSPGK1PGK2CA2
SCHEMBL16216680 0.69 LMNA (0.45) LMNAFDPSPGK1PGK2CA2
SCHEMBL335957 0.68
SCHEMBL97568 0.65 LMNA (0.56) LMNAFDPSPGK1PGK2CA2
SCHEMBL4147247 0.65 LMNA (0.56) LMNAFDPSPGK1PGK2CA2
SCHEMBL21382633 0.65
SCHEMBL4649888 0.65

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
US-4828766-A FROM 1-/ACYL/-ETHANE-1,1-DIPHOSPHONIC ACID BENCKISER-KNAPSACK GMBH (DE) 1989-05-09 US disclosed