SCHEMBL9302849

SCHEMBL9302849

O=P(O)(O)C(N1CC12CCCCCC2)P(=O)(O)O

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FDPS P14324 3/20 0.43
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL9301515 0.82 FDPS (0.52) FDPSTSHRCYP2C19
SCHEMBL9302929 0.82 FDPS (0.52) FDPSTSHRCYP2C19
SCHEMBL9301291 0.82 FDPS (0.47) FDPSTSHRCYP2C19
SCHEMBL9300041 0.71 FDPS (0.54) FDPSTSHRCYP2C19
SCHEMBL9301193 0.67 FDPS (0.53) FDPSTSHRCYP2C19
SCHEMBL9300273 0.67 FDPS (0.64) FDPSTSHRCYP2C19
SCHEMBL24951672 0.66
SCHEMBL9300487 0.65 FDPS (0.63) FDPSTSHRCYP2C19
SCHEMBL9301543 0.62 FDPS (0.59) FDPSTSHRCYP2C19
N-(Hexamethyleneimino)Methylenebisphosphonic Acid SCHEMBL12309768 0.61 FDPS (1.00) FDPSTSHR

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
US-5350743-A Treatment of osteoporosis KAKEN PHARMACEUTICAL CO., LTD. (JP) 1994-09-27 US disclosed
EP-0498424-A1 Bisphosphonic acid derivatives and bone resorption inhibitors containing them Kaken Pharmaceutical Co., Ltd. (JP) 1992-08-12 EP disclosed