SCHEMBL11416148

SCHEMBL11416148

OC[C@H]1O[C@@H](NC(=S)N[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PYGB P11216 7/20 0.59
▸ GAA P10253 1/20 0.59
▸ CA12 O43570 11/20 0.55
▸ CA1 P00915 11/20 0.55
▸ CA2 P00918 11/20 0.55
▸ CA9 Q16790 11/20 0.55
▸ CA14 Q9ULX7 8/20 0.55

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
SCHEMBL27719976 0.85 PYGB (0.56) PYGBGAACA12CA1CA2
SCHEMBL31259342 0.85 PYGB (0.56) PYGBGAACA12CA1CA2
SCHEMBL7125701 0.85 PYGB (0.56) PYGBGAACA12CA1CA2
SCHEMBL8651363 0.85 PYGB (0.56) PYGBGAACA12CA1CA2
SCHEMBL29936756 0.85 PYGB (0.56) PYGBGAACA12CA1CA2
SCHEMBL1520707 0.85 PYGB (0.56) PYGBGAACA12CA1CA2
SCHEMBL2086769 0.85 PYGB (0.56) PYGBGAACA12CA1CA2
SCHEMBL1520710 0.85 PYGB (0.56) PYGBGAACA12CA1CA2
SCHEMBL30802065 0.85 PYGB (0.56) PYGBGAACA12CA1CA2
SCHEMBL7121127 0.85 PYGB (0.56) PYGBGAACA12CA1CA2

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-4196073-A Hydrophilic thio compounds as selective depressants in the flotation separation of copper and molybdenum CANADIAN INDUSTRIES LIMITED (CA) 1980-04-01 — — US disclosed
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