SCHEMBL4727317

SCHEMBL4727317

Cc1cn([C@H]2C[C@H](O)[C@@H](COCCCF)O2)c(=O)[nH]c1=O

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.60
TK1 P04183 4/20 0.57
TYMS P04818 1/20 0.54

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
SCHEMBL4728684 0.97 POLB (0.59) POLBTK1TYMS
SCHEMBL4725280 0.96 POLB (0.58) POLBTK1TYMS
SCHEMBL4727506 0.94 POLB (0.62) POLBTK1TYMS
SCHEMBL5367837 0.90 POLB (0.60) POLBTK1TYMS
SCHEMBL5163079 0.90 POLB (0.60) POLBTK1TYMS
SCHEMBL622019 0.89 POLB (0.63) POLBTK1TYMS
SCHEMBL888318 0.88 POLB (0.65) POLBTK1TYMS
SCHEMBL1517627 0.87 POLB (0.64) POLBTK1TYMS
SCHEMBL6829899 0.87 POLB (0.64) POLBTK1TYMS
SCHEMBL6753328 0.87 POLB (0.61) POLBTK1TYMS

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
WO-2008024826-A2 RADIOHALOTHYMIDINES AND METHODS OF THEIR SYNTHESIS AND USE IN PET IMAGING OF CANCERS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2008-02-28 WO disclosed