SCHEMBL8333712

SCHEMBL8333712

O=P(O)(O)CC(C(C(C(C(CP(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 1/20 0.39
GABBR1 Q9UBS5 1/20 0.39
FOLH1 Q04609 9/20 0.34
THRB P10828 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MMP2 P08253 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NAALAD2 Q9Y3Q0 1/20 0.32
CYP1A2 P05177 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
PMP22 Q01453 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ANPEP P15144 1/20 0.31
ERAP2 Q6P179 1/20 0.31
TYMS P04818 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
SCHEMBL8332740 1.00 GABBR2 (0.39) GABBR2GABBR1FOLH1THRBKDM4E
SCHEMBL8333877 1.00 GABBR2 (0.39) GABBR2GABBR1FOLH1THRBKDM4E
SCHEMBL8330585 1.00 GABBR2 (0.39) GABBR2GABBR1FOLH1THRBKDM4E
SCHEMBL10946674 0.97 GABBR2 (0.37) GABBR2GABBR1FOLH1THRBKDM4E
SCHEMBL10940930 0.97 GABBR2 (0.37) GABBR2GABBR1FOLH1THRBKDM4E
SCHEMBL10940937 0.97 GABBR2 (0.37) GABBR2GABBR1FOLH1THRBKDM4E
SCHEMBL10943453 0.97 GABBR2 (0.37) GABBR2GABBR1FOLH1THRBKDM4E
SCHEMBL8330918 0.97 GABBR2 (0.40) GABBR2GABBR1FOLH1THRBKDM4E
SCHEMBL10943174 0.94 GABBR2 (0.39) GABBR2GABBR1FOLH1THRBKDM4E
SCHEMBL8333716 0.92 GABBR2 (0.40) GABBR2GABBR1FOLH1THRBKDM4E

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0802919-A4 RAPIDLY CLEARING TECHNETIUM-99m PHOSPHONATE SKELETAL IMAGING AGENTS MALLINCKRODT MEDICAL INC (US) 1999-08-18 EP disclosed
EP-0802919-A1 RAPIDLY CLEARING TECHNETIUM-99m PHOSPHONATE SKELETAL IMAGING AGENTS MALLINCKRODT MEDICAL, INC. (US) 1997-10-29 EP disclosed
EP-0722310-A1 ORAL COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1996-07-24 EP disclosed
EP-0721323-A1 DIPHOSPHONIC ACID ESTERS AS TARTAR CONTROL AGENTS THE PROCTER & GAMBLE COMPANY (US) 1996-07-17 EP disclosed
WO-1995033757-A1 RAPIDLY CLEARING TECHNETIUM-99m PHOSPHONATE SKELETAL IMAGING AGENTS MALLINCKRODT MEDICAL, INC. (US) 1995-12-14 WO disclosed
US-5451401-A Diphosphonic acid esters as tartar control agents THE PROCTER & GAMBLE COMPANY (US) 1995-09-19 US disclosed
WO-1995009602-A1 ORAL COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1995-04-13 WO disclosed
WO-1995008979-A1 DIPHOSPHONIC ACID ESTERS AS TARTAR CONTROL AGENTS THE PROCTER & GAMBLE COMPANY (US) 1995-04-06 WO disclosed
US-5338537-A Antitartar ang antigingivitis agents THE PROCTER & GAMBLE COMPANY (US) 1994-08-16 US disclosed
WO-1994000102-A1 ANTICALCULUS COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1994-01-06 WO disclosed
EP-0001853-A1 Detergent compositions having improved bleaching effect THE PROCTER & GAMBLE COMPANY (US) 1979-05-16 EP disclosed
EP-0001310-A1 Low phosphate detergent composition for fabric washing THE PROCTER & GAMBLE COMPANY (US) 1979-04-04 EP disclosed
US-4137309-A SICKLE CELL ANEMIA, GEMINAL DIPHOSPHONATE THE PROCTER & GAMBLE COMPANY (US) 1979-01-30 US disclosed
US-4067971-A ORGANOPHOSPHONATE COMPOUNDS, TREATMENT OF HYPOXIA, ISCHEMIC TISSUE DISEASES THE PROCTER & GAMBLE COMPANY (US) 1978-01-10 US disclosed
US-4025616-A Oral compositions for plaque, caries and calculus retardation with reduced staining tendencies THE PROCTER & GAMBLE COMPANY (US) 1977-05-24 US disclosed
US-RE29182-E POLYPHOSPHONIC ACIDS THE PROCTER & GAMBLE COMPANY (US) 1977-04-12 US disclosed
US-3983227-A TECHNETIUM THE PROCTER & GAMBLE COMPANY (US) 1976-09-28 US disclosed
US-3965254-A Compositions for the treatment of calcific tumors THE PROCTER & GAMBLE COMPANY (US) 1976-06-22 US disclosed
US-3959458-A PHOSPHONATE OR AMINO-PHOSPHORUS COMPOUND THE PROCTER & GAMBLE COMPANY (US) 1976-05-25 US disclosed
US-3934002-A BIS-GUANIDE THE PROCTER & GAMBLE COMPANY (US) 1976-01-20 US disclosed