SCHEMBL9947616

SCHEMBL9947616

Cc1cn([C@@]2(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.38
TK1 P04183 4/20 0.36
RAB9A P51151 1/20 0.35

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
SCHEMBL2543584 0.84 TYMS (0.39) TYMSTK1
SCHEMBL3345508 0.81 TK1 (0.42) TK1
SCHEMBL8146364 0.81 TK1 (0.42) TK1
Phosphoric Acid SCHEMBL548541 0.81 TYMS (0.42) TYMSTK1
SCHEMBL7040496 0.81 TYMS (0.37) TYMSTK1
SCHEMBL16187026 0.76 TK1 (0.44) TK1
SCHEMBL135210 0.76 TK1 (0.44) TK1
SCHEMBL29364921 0.75 TK1 (0.45) TK1
SCHEMBL6830837 0.74 TK1 (0.38) TK1
SCHEMBL4809531 0.74 TK1 (0.44) TK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8206593-B2 Adapted for on-chip solvent exchange; synthesis of radiopharmaceuticals such as FDG (fludeoxyglucose F18) for example FLUIDIGM CORPORATION (US) 2012-06-26 US disclosed