SCHEMBL10345978

SCHEMBL10345978

O=P(O)(O)C(N1CCSCC1C1CCCCC1)P(=O)(O)O

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FDPS P14324 4/20 0.42
DPP4 P27487 1/20 0.31
KCNH2 Q12809 1/20 0.31
DPP7 Q9UHL4 1/20 0.31

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
SCHEMBL10345985 0.92 FDPS (0.46) FDPS
SCHEMBL10345921 0.72 FDPS (0.48) FDPS
SCHEMBL10345504 0.69 FDPS (0.44) FDPS
SCHEMBL10345910 0.69 FDPS (0.44) FDPS
SCHEMBL10346122 0.66 MEN1 (0.37)
SCHEMBL10345909 0.65 FDPS (0.40) FDPS
SCHEMBL10345924 0.65 FDPS (0.40) FDPS
SCHEMBL10345509 0.63 S1PR1 (0.43) FDPS
SCHEMBL13235826 0.61 FDPS (0.45) FDPS
Thiomorpholinomethylenediphosphonic Acid SCHEMBL1471965 0.61 FDPS (1.00) 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