SCHEMBL272343

SCHEMBL272343

BC1CC(OC(=O)COc2ccccc2)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)S)O1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RY2 P41231 7/20 0.36
P2RY6 Q15077 4/20 0.36
P2RY4 P51582 3/20 0.36
ALDH1A1 P00352 1/20 0.35
P2RY14 Q15391 1/20 0.34
P2RX3 P56373 2/20 0.33
P2RX2 Q9UBL9 2/20 0.33
P2RX4 Q99571 1/20 0.33
P2RY12 Q9H244 3/20 0.33
TRPM2 O94759 2/20 0.32
GPR17 Q13304 1/20 0.32

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
SCHEMBL272356 0.93 P2RY2 (0.42) P2RY2P2RY6P2RY4P2RX3P2RX2
SCHEMBL271983 0.89 P2RY2 (0.36) P2RY2P2RY6P2RY4ALDH1A1P2RX3
SCHEMBL272498 0.87 P2RY2 (0.36) P2RY2P2RY6P2RY4ALDH1A1P2RY14
SCHEMBL271898 0.77 P2RY2 (0.32) P2RY2P2RY6P2RY4
SCHEMBL271982 0.77 P2RY2 (0.39) P2RY2P2RY6P2RY4ALDH1A1P2RX3
SCHEMBL271873 0.76 P2RY2 (0.35) P2RY2P2RY6P2RY4
SCHEMBL272500 0.73 P2RX3 (0.43) P2RY2P2RY6P2RY4P2RX3P2RX2
SCHEMBL17018681 0.72
SCHEMBL271940 0.71 P2RY2 (0.34) P2RY2P2RY6P2RY4
SCHEMBL272676 0.71 ALDH1A1 (0.36) P2RY2P2RY6P2RY4ALDH1A1

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-8133669-B2 Chemically modified nucleoside 5′-triphosphates for thermally initiated amplification of nucleic acid TRILINK BIOTECHNOLOGIES (US) 2012-03-13 US disclosed
US-20100003724-A1 CHEMICALLY MODIFIED NUCLEOSIDE 5'-TRIPHOSPHATES FOR THERMALLY INITIATED AMPLIFICATION OF NUCLEIC ACID TriLink Bio Technologies 2010-01-07 US disclosed