SCHEMBL6832176

SCHEMBL6832176

C=CC[C@@H](O)[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1O

nearest known ligand 0.66

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TK1 P04183 5/20 0.56

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
SCHEMBL6827431 1.00 TK1 (0.56) TK1
SCHEMBL6923318 1.00 TK1 (0.56) TK1
SCHEMBL16170827 0.89 TK1 (0.48) TK1
SCHEMBL16170816 0.89 TK1 (0.48) TK1
SCHEMBL7897475 0.88 TK1 (0.54) TK1
SCHEMBL4422931 0.87 TK1 (0.61) TK1
SCHEMBL6829898 0.86 TK1 (0.60) TK1
SCHEMBL6831324 0.86 TK1 (0.60) TK1
SCHEMBL7626227 0.86 TK1 (0.60) TK1
SCHEMBL31298661 0.86 TK1 (0.60) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6743902-B1 FOR USE IN ANTISENSE THERAPY FOR ENHANCING NUCLEASE RESISTANCE AND CELLULAR UPTAKE VALEANT PHARMACEUTICALS INTERNATIONAL 2004-06-01 US disclosed
US-5712378-A SUGAR MOLECULE IS SUBSTITUTED WITH HYDROCARBON OR SUBSTITUTED HYDROCARBON GROUPS, ANTISENSE AGENTS ICN PHARMACEUTICALS (US) 1998-01-27 US disclosed