SCHEMBL9537434

SCHEMBL9537434

O=P(O)(O)C1(P(=O)(O)O)CCC1O

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL9738416 0.69 GRM4 (0.37) TSHRCYP2C19
SCHEMBL9740737 0.66 TSHR (0.31) TSHRCYP2C19GAA
SCHEMBL10877220 0.59 GAA (0.50) TSHRCYP2C19GAA
SCHEMBL7086182 0.57
SCHEMBL13625216 0.55
SCHEMBL15551634 0.55
Phosphoric Acid SCHEMBL27570657 0.54
Phosphoric Acid SCHEMBL2051087 0.52
Phosphoric Acid SCHEMBL2050201 0.52 CA2 (0.50) TSHR
Phosphoric Acid SCHEMBL490890 0.52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0304961-B1 NOVEL DIPHOSPHONATES AND USE THEREOF IN PHARMACEUTICAL COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1993-08-11 EP disclosed
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-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