SCHEMBL8778434

SCHEMBL8778434

CC1CC(CC(N)(P(=O)(O)O)P(=O)(O)O)C[N+](C)(C)C1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
FDPS P14324 4/20 0.34
SMPD1 P17405 2/20 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
Hydrochloric Acid SCHEMBL8468083 0.98 FDPS (0.33) FDPSSMPD1
SCHEMBL8778309 0.76 FDPS (0.35) FDPSSMPD1
Hydrochloric Acid SCHEMBL8468445 0.75 FDPS (0.34) FDPSSMPD1
SCHEMBL8778259 0.73 FDPS (0.38) FDPSSMPD1
Hydrochloric Acid SCHEMBL8467287 0.72 FDPS (0.37) FDPSSMPD1
Hydrochloric Acid SCHEMBL9180584 0.70 FDPS (0.36) FDPSSMPD1
SCHEMBL9082307 0.62 ANPEP (0.44) FDPSSMPD1
SCHEMBL8778357 0.61 FDPS (0.33) FDPSSMPD1
SCHEMBL17711563 0.61
SCHEMBL17711567 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 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