SCHEMBL10345852

SCHEMBL10345852

CCCCC1CN(C(P(=O)(O)O)P(=O)(O)O)CCS1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FDPS P14324 9/20 0.44
LAP3 P28838 2/20 0.33
S1PR1 P21453 4/20 0.32
S1PR3 Q99500 4/20 0.32
S1PR5 Q9H228 4/20 0.32
S1PR4 O95977 2/20 0.32
S1PR2 O95136 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
SCHEMBL10345500 0.85 FDPS (0.49) FDPS
SCHEMBL10345518 0.79 FDPS (0.46) FDPS
SCHEMBL10345875 0.73 FDPS (0.53) FDPS
SCHEMBL10345888 0.66 S1PR1 (0.37) FDPSLAP3S1PR1S1PR3S1PR5
SCHEMBL10345909 0.66 FDPS (0.40) FDPSS1PR1S1PR3S1PR5S1PR4
SCHEMBL10345503 0.65 FDPS (0.48) FDPS
SCHEMBL10345991 0.63 FDPS (0.44) FDPS
SCHEMBL10345980 0.63 FDPS (0.33) FDPS
Thiomorpholinomethylenediphosphonic Acid SCHEMBL1471965 0.63 FDPS (1.00) FDPS
Thiomorpholinomethylenediphosphonic Acid SCHEMBL10345507 0.61 FDPS (0.95) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0248854-B1 NOVEL BISPHOSPHONIC DERIVATIVES, A METHOD FOR THEIR PRODUCTION AND A PHARMACEUTICAL COMPOSITION LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB) (DK) 1990-04-25 EP disclosed
US-4870063-A Bisphosphonic acid derivatives, their production and use LEO PHARMACEUTICAL PRODUCTS LTD. A/S (DK) 1989-09-26 US disclosed
EP-0248854-A1 NOVEL BISPHOSPHONIC DERIVATIVES, A METHOD FOR THEIR PRODUCTION AND A PHARMACEUTICAL COMPOSITION. LEO PHARM PROD LTD (DK) 1987-12-16 EP disclosed
WO-1987003598-A1 NOVEL BISPHOSPHONIC DERIVATIVES, A METHOD FOR THEIR PRODUCTION AND A PHARMACEUTICAL COMPOSITION LEO PHARMACEUTICAL PRODUCTS LTD. A/S (DK) 1987-06-18 WO disclosed