SCHEMBL8778259

SCHEMBL8778259

C[N+]1(C)CCC(CC(N)(P(=O)(O)O)P(=O)(O)O)CC1

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
FDPS P14324 5/20 0.38
SMPD1 P17405 2/20 0.34

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
Hydrochloric Acid SCHEMBL8467287 0.98 FDPS (0.37) FDPSSMPD1
SCHEMBL8778309 0.81 FDPS (0.35) FDPSSMPD1
Hydrochloric Acid SCHEMBL8468445 0.80 FDPS (0.34) FDPSSMPD1
SCHEMBL8778430 0.80
SCHEMBL8778235 0.80 FDPS (0.41) FDPS
Hydrochloric Acid SCHEMBL8465324 0.79
Hydrochloric Acid SCHEMBL8465508 0.79 FDPS (0.40) FDPS
SCHEMBL9082307 0.74 ANPEP (0.44) FDPSSMPD1
SCHEMBL8778434 0.73 FDPS (0.34) FDPSSMPD1
Hydrochloric Acid SCHEMBL8468083 0.72 FDPS (0.33) FDPSSMPD1

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 1 patent. 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