SCHEMBL9548701

SCHEMBL9548701

CC(=O)C[C@]1(C#N)CC[C@H](n2cc(C)c(=O)[nH]c2=O)O1

nearest known ligand 0.46

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TK1 P04183 7/20 0.43

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
SCHEMBL9548763 0.88 TK1 (0.49) TK1
SCHEMBL9548728 0.87 TK1 (0.41) TK1
SCHEMBL15184742 0.79 TK1 (0.50) TK1
SCHEMBL17739409 0.78 TK1 (0.48) TK1
SCHEMBL9548652 0.75 TK1 (0.51) TK1
SCHEMBL24695053 0.74 TK1 (0.50) TK1
SCHEMBL23622010 0.73 TK1 (0.49) TK1
SCHEMBL20833453 0.71 TK1 (0.47) TK1
SCHEMBL20879499 0.71 TK1 (0.47) TK1
SCHEMBL9151712 0.71 TK1 (0.49) 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-5192749-A Viricide, AIDS SYNTEX (U.S.A.) INC. (US) 1993-03-09 US disclosed