SCHEMBL8600344

SCHEMBL8600344

C#CCCCOC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C[C@@H]1OP(=O)(O)OP(=O)(O)OP(=O)(O)O

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DUT P33316 2/20 0.47
P2RY2 P41231 14/20 0.47
P2RY4 P51582 8/20 0.47
P2RY6 Q15077 7/20 0.45
P2RY14 Q15391 2/20 0.45
POLA1 P09884 1/20 0.44

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
SCHEMBL14913972 0.86 DUT (0.51) DUTP2RY2P2RY4P2RY6P2RY14
SCHEMBL4619792 0.83 DUT (0.50) DUTP2RY2P2RY4P2RY6P2RY14
SCHEMBL4348233 0.82 P2RY2 (0.51) DUTP2RY2P2RY4P2RY6POLA1
SCHEMBL2811543 0.82 DUT (0.61) DUTP2RY2P2RY4P2RY6P2RY14
SCHEMBL8604517 0.81 DUT (0.55) DUTP2RY2P2RY4P2RY6P2RY14
SCHEMBL29431049 0.80 DUT (0.56) DUTP2RY2P2RY4P2RY6P2RY14
SCHEMBL23585777 0.80 P2RY2 (0.58) DUTP2RY2P2RY4P2RY6POLA1
SCHEMBL3931458 0.79 DUT (0.55) DUTP2RY2P2RY4P2RY6P2RY14
SCHEMBL7906606 0.77 P2RY2 (0.52) DUTP2RY2P2RY4P2RY6P2RY14
SCHEMBL7906610 0.77 P2RY2 (0.52) DUTP2RY2P2RY4P2RY6P2RY14

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-5756291-A IDENTIFYING OLIGOMER SEQUENCES; QUALITATIVE ANALYSIS; ANALYSIS OF THROMBIN BY COMPLEXING GILEAD SCIENCES, INC. (US) 1998-05-26 US disclosed