SCHEMBL12436579

SCHEMBL12436579

COP(=O)(O)C(O)(C[n+]1ccc2ccccc2c1)P(=O)(O)O

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GGPS1 O95749 2/20 0.45
▸ ACHE P22303 8/20 0.41
▸ BCHE P06276 9/20 0.40
▸ FDPS P14324 1/20 0.39
▸ MAPT P10636 1/20 0.39

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
SCHEMBL12048152 0.88 GGPS1 (0.48) GGPS1ACHEBCHEFDPSMAPT
SCHEMBL12060366 0.87 GGPS1 (0.52) GGPS1ACHEBCHEFDPS
SCHEMBL12060353 0.70 GGPS1 (0.52) GGPS1FDPS
SCHEMBL12048171 0.69 GGPS1 (0.49) GGPS1FDPS
SCHEMBL14227950 0.69 FDPS (0.37) GGPS1ACHEFDPS
SCHEMBL5897909 0.68 FDPS (0.71) GGPS1FDPS
SCHEMBL12060368 0.68 FDPS (0.46) GGPS1FDPS
SCHEMBL12060370 0.68 GGPS1 (0.47) GGPS1FDPS
SCHEMBL12048182 0.68 FDPS (0.42) GGPS1FDPS
SCHEMBL12048185 0.68 GGPS1 (0.57) 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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