SCHEMBL12435392

SCHEMBL12435392

O=NP(=O)(O)C(O)(C[n+]1ccccc1)P(=O)(O)O

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ GGPS1 O95749 3/20 0.44
▸ FDPS P14324 17/20 0.44

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
SCHEMBL12048107 0.85 FDPS (0.56) GGPS1FDPS
SCHEMBL12048156 0.79 GGPS1 (0.47) GGPS1FDPS
SCHEMBL12060361 0.71 FDPS (0.43) GGPS1FDPS
SCHEMBL12060628 0.69 GGPS1 (0.62) GGPS1FDPS
SCHEMBL12060363 0.67 FDPS (0.54) GGPS1FDPS
SCHEMBL12060352 0.66 GGPS1 (0.84) GGPS1FDPS
SCHEMBL12048164 0.66 GGPS1 (0.38) GGPS1FDPS
SCHEMBL12048185 0.65 GGPS1 (0.57) GGPS1FDPS
SCHEMBL12060545 0.64 GGPS1 (0.57) GGPS1FDPS
SCHEMBL12060353 0.64 GGPS1 (0.52) GGPS1FDPS

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-1802641-B1 BISPHOSPHONATE COMPOUNDS AND METHODS FOR BONE RESORPTION DISEASES, CANCER, BONE PAIN, IMMUNE DISORDERS, AND INFECTIOUS DISEASES UNIV ILLINOIS (US) 2011-08-10 — — EP disclosed
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