SCHEMBL14249031

SCHEMBL14249031

N#CCC1(S)O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PYGB P11216 8/20 0.37
PYGL P06737 3/20 0.37
PYGM P11217 2/20 0.37
SLC5A2 P31639 2/20 0.34
SLC5A1 P13866 1/20 0.34

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
SCHEMBL6839791 1.00 PYGB (0.37) PYGBPYGLPYGMSLC5A2SLC5A1
SCHEMBL1521577 0.77 PYGB (0.40) PYGBPYGLPYGMSLC5A2SLC5A1
SCHEMBL30636631 0.74 PYGB (0.36) PYGBPYGLPYGM
SCHEMBL7563352 0.72 GAA (0.36) PYGBPYGLPYGM
SCHEMBL17460438 0.72 GAA (0.36) PYGBPYGLPYGM
SCHEMBL2380968 0.72 GAA (0.36) PYGBPYGLPYGM
SCHEMBL1843403 0.72 GAA (0.36) PYGBPYGLPYGM
SCHEMBL27936287 0.71 PYGB (0.44) PYGBPYGLPYGM
SCHEMBL6131050 0.70 PYGB (0.43) PYGBPYGLPYGM
SCHEMBL7590934 0.70 PYGB (0.43) PYGBPYGLPYGM

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-2012171966-A1 METHOD FOR THE REGIOSELECTIVE HYDROLYSIS OF MONOSACCHARIDES UNIVERSITA' DEGLI STUDI DI PAVIA DIPARTIMENTO DI SCIENZE DEL FARMACO (IT) 2012-12-20 WO disclosed