SCHEMBL8167994

SCHEMBL8167994

CC(C)OP(=O)(OC(C)C)C(Cc1cccnc1)P(=O)(OC(C)C)OC(C)C

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.60
HMGCR P04035 15/20 0.50
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
TBXAS1 P24557 1/20 0.43

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
SCHEMBL8171503 0.90 FDPS (0.61) FDPSHMGCRPOLBHPGDTBXAS1
SCHEMBL8166214 0.85 FDPS (0.66) FDPSPOLBHPGDTBXAS1
SCHEMBL8167482 0.83 FDPS (0.71) FDPSPOLBHPGDTBXAS1
SCHEMBL6060892 0.82 FDPS (0.60) FDPSHMGCRPOLB
SCHEMBL19939426 0.81 HMGCR (0.55) HMGCR
SCHEMBL2459769 0.76 FDPS (1.00) FDPSTBXAS1
SCHEMBL31061112 0.76 FDPS (1.00) FDPSTBXAS1
SCHEMBL5662316 0.75 FDPS (0.43) FDPSHMGCRHPGD
SCHEMBL15163928 0.75 HMGCR (0.52) HMGCR
SCHEMBL24334938 0.75 FDPS (0.53) FDPSTBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0563107-B1 NOVEL METHYLENEBISPHOSPHONIC ACID DERIVATIVES LEIRAS OY (FI) 2000-05-03 EP disclosed
US-5393748-A Treating bone disorders, Paget* s disease, calcium metabolism disorders LEIRAS OY (FI) 1995-02-28 US disclosed