Fluoride

Fluoride

SCHEMBL27763549

CCCCNC(CCC(=O)O)C(=O)O.F

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 3/20 0.55
FOLH1 Q04609 6/20 0.48
NAALAD2 Q9Y3Q0 2/20 0.48
RIMKLA Q8IXN7 1/20 0.48
GGH Q92820 1/20 0.46
PLA2G10 O15496 1/20 0.45
PLA2G2C Q5R387 1/20 0.45
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
AKR1B1 P15121 1/20 0.42

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
SCHEMBL3649431 0.98 NOD1 (0.56) NOD1FOLH1NAALAD2RIMKLAGGH
SCHEMBL8324059 0.98 NOD1 (0.56) NOD1FOLH1NAALAD2RIMKLAGGH
Hydrochloric Acid SCHEMBL15530021 0.96 NOD1 (0.55) NOD1FOLH1NAALAD2RIMKLAGGH
Fluoride SCHEMBL27833051 0.93 NOD1 (0.59) NOD1FOLH1PLA2G10PLA2G2CITGB3
SCHEMBL1325387 0.93 NOD1 (0.58) NOD1FOLH1NAALAD2RIMKLAGGH
SCHEMBL45655 0.93 NOD1 (0.58) NOD1FOLH1NAALAD2RIMKLAGGH
SCHEMBL45656 0.93 NOD1 (0.58) NOD1FOLH1NAALAD2RIMKLAGGH
SCHEMBL25244619 0.91 NOD1 (0.60) NOD1FOLH1PLA2G10PLA2G2CITGB3
SCHEMBL2721132 0.91 NOD1 (0.60) NOD1FOLH1PLA2G10PLA2G2CITGB3
SCHEMBL2721131 0.91 NOD1 (0.60) NOD1FOLH1PLA2G10PLA2G2CITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104356019-A Novel [f-18]-labelled l-glutamic acid and l-glutamine derivatives (i), their use and processes for their preparation BAYER SCHERING PHARMA AG 2015-02-18 CN disclosed
CN-101595083-B [F-18]-labeled l-glutamic acid, [F-18]-labeled l-glutamine, derivatives thereof and use thereof and processes for their preparation BAYER SCHERING PHARMA AG 2014-12-10 CN disclosed
CN-102083773-A { F-19} labelled L-glutamic acid and L-glutamine derivatives (III), their use and process for their preparation BAYER SCHERING PHARMA AG 2011-06-01 CN disclosed
CN-102083772-A Novel [ F-18] -labelled L-glutamic acid and L-glutamine derivatives , their use and process for their preparation BAYER SCHERING PHARMA AG 2011-06-01 CN disclosed
CN-101595083-A The L-L-glutamic acid of [F-18]-mark, the L-glutaminate of [F-18]-mark, their derivative and application and preparation method BAYER SCHERING PHARMA AG INST (DE) 2009-12-02 CN disclosed