SCHEMBL9738416

SCHEMBL9738416

O=C(O)C1CCC1(P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 4/20 0.37
SLC1A2 P43004 1/20 0.37
SLC1A1 P43005 1/20 0.37
GRM2 Q14416 2/20 0.32
GRM3 Q14832 2/20 0.32
CYP1A2 P05177 1/20 0.32
ALOX15 P16050 1/20 0.32
CYP2C19 P33261 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GRM8 O00222 1/20 0.32
GRM6 O15303 1/20 0.32
LMNA P02545 1/20 0.32
GRM5 P41594 1/20 0.32
MTOR P42345 1/20 0.32
GRM1 Q13255 1/20 0.32
PLCB1 Q9NQ66 1/20 0.32
TSHR P16473 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
SCHEMBL9537434 0.69 TSHR (0.32) CYP2C19TSHR
SCHEMBL8842658 0.67 GRM4 (0.37) GRM4SLC1A2SLC1A1GRM2GRM3
SCHEMBL8842570 0.66 GRM4 (0.36) GRM4GRM2GRM3CYP1A2ALOX15
SCHEMBL16485934 0.65
SCHEMBL24868049 0.64
SCHEMBL1462453 0.64 SLC1A2 (0.41) GRM4SLC1A2SLC1A1GRM2GRM3
SCHEMBL3714631 0.64
SCHEMBL24868099 0.64
Hydrochloric Acid SCHEMBL25404306 0.62 SLC1A2 (0.39) GRM4SLC1A2SLC1A1GRM2GRM3
SCHEMBL11637297 0.62 SLC1A2 (0.39) GRM4SLC1A2SLC1A1GRM2GRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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