SCHEMBL22384873

SCHEMBL22384873

N=C(S)NC1OC(CO)C(O)C(O)C1O

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PYGB P11216 7/20 0.56
▸ GAA P10253 1/20 0.56
▸ CA12 O43570 3/20 0.49
▸ CA1 P00915 3/20 0.49
▸ CA2 P00918 3/20 0.49
▸ CA9 Q16790 3/20 0.49
▸ AKR1B1 P15121 1/20 0.47

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
SCHEMBL4093489 0.85 PYGB (0.59) PYGBGAACA12CA1CA2
SCHEMBL4093481 0.85 PYGB (0.59) PYGBGAACA12CA1CA2
SCHEMBL4103927 0.81 PYGB (0.56) PYGBGAACA12CA1CA2
Hydrochloric Acid SCHEMBL31357138 0.80 PYGB (0.54) PYGBGAACA12CA1CA2
SCHEMBL15387209 0.79 PYGB (0.53) PYGBGAACA12CA1CA2
SCHEMBL4104100 0.79 PYGB (0.57) PYGBGAACA12CA1CA2
SCHEMBL4104096 0.79 PYGB (0.57) PYGBGAACA12CA1CA2
SCHEMBL11416148 0.77 PYGB (0.59) PYGBGAACA12CA1CA2
SCHEMBL30957909 0.77 PYGB (0.69) PYGBGAACA12CA1CA2
SCHEMBL12603813 0.76 CA12 (0.55) 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
EP-2900678-B1 MULTIMERIC MANNOSIDES, A PROCESS FOR PREPARING THE SAME AND THEIR USES AS A DRUG CENTRE NAT RECH SCIENT (FR) 2020-09-02 — — EP disclosed
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