SCHEMBL9947618

SCHEMBL9947618

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

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TYMS P04818 2/20 0.61
POLB P06746 1/20 0.54
TK1 P04183 2/20 0.51
BCHE P06276 1/20 0.51

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
SCHEMBL11876295 0.91 TYMS (0.60) TYMSPOLBTK1BCHE
SCHEMBL11876308 0.91 TYMS (0.60) TYMSPOLBTK1BCHE
SCHEMBL766555 0.91 TYMS (0.60) TYMSPOLBTK1BCHE
SCHEMBL11881949 0.91 TYMS (0.60) TYMSPOLBTK1BCHE
SCHEMBL2786473 0.91 TYMS (0.60) TYMSPOLBTK1BCHE
SCHEMBL2543582 0.87 TYMS (0.63) TYMSPOLBTK1BCHE
SCHEMBL7040500 0.85 TYMS (0.60) TYMSPOLBTK1
SCHEMBL7038116 0.85 TYMS (0.60) TYMSPOLBTK1
Thymidine Monophosphate SCHEMBL20797966 0.83 TYMS (0.75) TYMSPOLBTK1
SCHEMBL6047004 0.83 TYMS (0.58) TYMSPOLBBCHE

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