SCHEMBL8778283

SCHEMBL8778283

O=P(O)(O)CC(C1CCC(S)CN1)P(=O)(O)O

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL8778359 0.76
SCHEMBL8778182 0.75
SCHEMBL9169758 0.70
SCHEMBL8778238 0.68 FDPS (0.56)
SCHEMBL8778265 0.67
SCHEMBL8778344 0.66 ENPEP (0.34)
SCHEMBL8778330 0.66 ANPEP (0.33)
SCHEMBL8778300 0.64
SCHEMBL8778313 0.61 KDM4E (0.31)
SCHEMBL9170829 0.61

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0648120-B1 USE OF PHOSPHONATES FOR THE TREATMENT OF OSTEOPOROSIS PROCTER & GAMBLE PHARMA (US) 1997-12-29 EP claimed
EP-0648120-B1 USE OF PHOSPHONATES FOR THE TREATMENT OF OSTEOPOROSIS PROCTER & GAMBLE PHARMA (US) 1997-12-29 EP disclosed
WO-1994000130-A1 COMPOSITIONS FOR THE TREATMENT OF ARTHRITIS CONTAINING PHOSPHONATES AND NSAIDS PROCTER & GAMBLE PHARMACEUTICALS, INC. (US) 1994-01-06 WO disclosed