SCHEMBL9356971

SCHEMBL9356971

O=P(O)(O)C(N1CCN(C(P(=O)(O)O)P(=O)(O)O)CCN(C(P(=O)(O)O)P(=O)(O)O)N(C(P(=O)(O)O)P(=O)(O)O)CC1)P(=O)(O)O

nearest known ligand 0.62

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
FDPS P14324 3/20 0.62

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
SCHEMBL3080928 0.89 FDPS (0.75) FDPS
SCHEMBL203348 0.89 FDPS (0.75) FDPS
SCHEMBL898693 0.89 FDPS (0.75) FDPS
SCHEMBL2203676 0.79 FDPS (0.85) FDPS
SCHEMBL26029597 0.78 FDPS (0.60) FDPS
SCHEMBL2472093 0.77 FDPS (1.00) FDPS
N-(Hexamethyleneimino)Methylenebisphosphonic Acid SCHEMBL12309768 0.77 FDPS (1.00) FDPS
SCHEMBL9565325 0.73 FDPS (0.60) FDPS
Thiomorpholinomethylenediphosphonic Acid SCHEMBL1471965 0.73 FDPS (1.00) FDPS
Morpholinomethylenediphosphonic Acid SCHEMBL3058156 0.73 FDPS (0.60) FDPS

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-0408701-B1 MACROCYCLIC AMINOPHOSPHONIC ACID COMPLEXES, THEIR PREPARATION, FORMULATIONS AND USE DOW CHEMICAL CO (US) 1994-10-12 EP claimed