SCHEMBL7080404

SCHEMBL7080404

CN(CCN(C)C(P(=O)(O)O)P(=O)(O)O)CCN(C(P(=O)(O)O)P(=O)(O)O)C(P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.41
S1PR2 O95136 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
S1PR5 Q9H228 1/20 0.35
GGPS1 O95749 3/20 0.33
ANPEP P15144 1/20 0.30

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
SCHEMBL38156 0.80 FDPS (0.50) FDPSANPEP
Ammonia Solution, Strong SCHEMBL3279112 0.78 FDPS (0.48) FDPSANPEP
Water SCHEMBL7073557 0.78 FDPS (0.48) FDPSANPEP
SCHEMBL7083349 0.77 FDPS (0.61) FDPSS1PR2S1PR1S1PR3S1PR5
SCHEMBL7080011 0.77 FDPS (0.61) FDPSS1PR2S1PR1S1PR3S1PR5
SCHEMBL12250789 0.74 FDPS (0.64) FDPSS1PR2S1PR1S1PR3S1PR5
SCHEMBL12231067 0.73 FDPS (0.44) FDPS
SCHEMBL9711400 0.72 FDPS (0.45) FDPSS1PR2S1PR1S1PR3S1PR5
Ethylenediamine SCHEMBL5193597 0.72 FDPS (0.43) FDPSANPEP
Ethylenediamine SCHEMBL14694305 0.72 FDPS (0.43) FDPSANPEP

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-20030216275-A1 Nª,n -dialkyl aminomethylenephosphonic acids and use thereof CRUMP DRUCE K (US) 2003-11-20 US disclosed