SCHEMBL8048739

SCHEMBL8048739

CCCCC(O)(P(=O)(O)O)P(=O)(O)OC

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FDPS P14324 17/20 0.62
GGPS1 O95749 8/20 0.62
PDE3A Q14432 2/20 0.46
AGTR1 P30556 1/20 0.46
OPRM1 P35372 1/20 0.46
SMPD1 P17405 1/20 0.42
LPAR1 Q92633 1/20 0.40
LPAR3 Q9UBY5 1/20 0.40

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
SCHEMBL8048210 0.92 FDPS (0.55) FDPSGGPS1PDE3AAGTR1OPRM1
SCHEMBL8052556 0.87 FDPS (0.50) FDPSGGPS1PDE3AAGTR1OPRM1
SCHEMBL8038146 0.84 FDPS (0.47) FDPSGGPS1PDE3AAGTR1OPRM1
SCHEMBL4093004 0.83 FDPS (0.86) FDPSGGPS1PDE3AAGTR1OPRM1
SCHEMBL8048146 0.83 FDPS (0.60) FDPSGGPS1PDE3AAGTR1OPRM1
SCHEMBL8050464 0.83 FDPS (0.68) FDPSGGPS1PDE3A
SCHEMBL14123895 0.82 FDPS (0.69) FDPSGGPS1PDE3AAGTR1OPRM1
SCHEMBL9296429 0.81 FDPS (0.83) FDPSGGPS1PDE3AAGTR1OPRM1
SCHEMBL14044735 0.81 FDPS (0.77) FDPSGGPS1PDE3AAGTR1OPRM1
SCHEMBL11551695 0.80 FDPS (0.56) FDPSGGPS1PDE3AAGTR1OPRM1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0563096-B1 NOVEL METHYLENEBISPHOSPHONIC ACID DERIVATIVES LEIRAS OY (FI) 2000-05-03 EP claimed
EP-0563096-A1 NOVEL METHYLENEBISPHOSPHONIC ACID DERIVATIVES LEIRAS OY (FI) 1993-10-06 EP claimed
WO-1992011267-A1 NOVEL METHYLENEBISPHOSPHONIC ACID DERIVATIVES LEIRAS OY (FI) 1992-07-09 WO claimed
EP-0563096-B1 NOVEL METHYLENEBISPHOSPHONIC ACID DERIVATIVES LEIRAS OY (FI) 2000-05-03 EP disclosed
US-5438048-A Used for treatment of disorders related to metabolism of calcium and other bivalent metals; treats bone cancer, urolithiasis, rheumatoid arthritis, bone infection and bone degradation LEIRAS OY (FI) 1995-08-01 US disclosed
EP-0563096-A1 NOVEL METHYLENEBISPHOSPHONIC ACID DERIVATIVES LEIRAS OY (FI) 1993-10-06 EP disclosed
WO-1992011267-A1 NOVEL METHYLENEBISPHOSPHONIC ACID DERIVATIVES LEIRAS OY (FI) 1992-07-09 WO disclosed