SCHEMBL8778299

SCHEMBL8778299

C[n+]1ccc(CC(P(=O)(O)O)P(=O)(O)O)nc1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
FDPS P14324 9/20 0.54
GGPS1 O95749 9/20 0.35

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
Hydrochloric Acid SCHEMBL8465582 0.98 FDPS (0.57) FDPSGGPS1
SCHEMBL8778375 0.84 FDPS (0.37) FDPSGGPS1
Hydrochloric Acid SCHEMBL8467516 0.83 FDPS (0.40) FDPSGGPS1
SCHEMBL8778424 0.73 FDPS (0.33) FDPSGGPS1
SCHEMBL8778395 0.72 FDPS (0.55) FDPSGGPS1
Hydrochloric Acid SCHEMBL8468070 0.72 FDPS (0.36) FDPSGGPS1
Piridronic Acid SCHEMBL223779 0.70 FDPS (1.00) FDPS
SCHEMBL8386863 0.68 FDPS (0.55) FDPSGGPS1
SCHEMBL9441323 0.67 FDPS (0.59) FDPSGGPS1
SCHEMBL9601823 0.67 CXCR4 (0.30)

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-0648120-B1 USE OF PHOSPHONATES FOR THE TREATMENT OF OSTEOPOROSIS PROCTER & GAMBLE PHARMA (US) 1997-12-29 EP claimed