SCHEMBL9740737

SCHEMBL9740737

O=P(O)(O)C1(P(=O)(O)O)CCC2CCCCC21

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
GAA P10253 1/20 0.31
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL8606994 0.73
SCHEMBL8605354 0.73
SCHEMBL8468237 0.72
SCHEMBL8501088 0.69 FDPS (0.31)
SCHEMBL11403845 0.69 HSD17B10 (0.37) TSHRCYP2C19HSD17B10
SCHEMBL8610112 0.69 MAPT (0.32)
SCHEMBL8465658 0.68 GAA (0.31) GAA
SCHEMBL8465541 0.67 MEN1 (0.33) TSHR
SCHEMBL8468542 0.67 MEN1 (0.33) TSHR
SCHEMBL31440758 0.66 HSD11B1 (0.33) HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4687768-A OSTEOPOROSIS, ARTHRITIS THE PROCTER & GAMBLE COMPANY (US) 1987-08-18 US claimed
US-5104863-A Certain bicycloalkane and azabicycloalkane-1,1-diphosphonic acid derivatives useful for treating diseases associated with abnormal calcium and phosphate metabolism THE PROCTER & GAMBLE COMPANY (US) 1992-04-14 US disclosed
US-4939131-A Certain cycloalkane-1,1-diphosphonic acids and derivatives thereof having the ability to treat diseases associated with abnormal calcium and phosphate metabolism THE PROCTER & GAMBLE COMPANY (US) 1990-07-03 US disclosed
EP-0189662-B1 NOVEL DIPHOSPHONATES AND USE THEREOF IN PHARMACEUTICAL COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1989-09-06 EP disclosed
EP-0304962-A2 Novel diphosphonates and use thereof in pharmaceutical compositions THE PROCTER & GAMBLE COMPANY (US) 1989-03-01 EP disclosed
EP-0304961-A2 Novel diphosphonates and use thereof in pharmaceutical compositions THE PROCTER & GAMBLE COMPANY (US) 1989-03-01 EP disclosed
US-4687768-A OSTEOPOROSIS, ARTHRITIS THE PROCTER & GAMBLE COMPANY (US) 1987-08-18 US disclosed
EP-0189662-A1 Novel diphosphonates and use thereof in pharmaceutical compositions THE PROCTER & GAMBLE COMPANY (US) 1986-08-06 EP disclosed