SCHEMBL17993172

SCHEMBL17993172

Cc1cc(-c2cn([C@@H]3C(O)[C@@H](S)OC(CO)[C@@H]3O)nn2)cc(F)c1F

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ LGALS3 P17931 20/20 0.66
▸ LGALS1 P09382 4/20 0.66

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
SCHEMBL17964039 0.93 LGALS3 (0.75) LGALS3LGALS1
SCHEMBL17993057 0.93 LGALS3 (0.75) LGALS3LGALS1
SCHEMBL22247258 0.82 LGALS3 (0.75) LGALS3LGALS1
SCHEMBL177372 0.81 LGALS3 (0.74) LGALS3LGALS1
SCHEMBL17993082 0.81 LGALS3 (0.88) LGALS3
SCHEMBL176329 0.81 LGALS3 (0.76) LGALS3LGALS1
SCHEMBL19665275 0.80 LGALS3 (0.60) LGALS3LGALS1
SCHEMBL28706097 0.80 LGALS3 (0.84) LGALS3LGALS1
SCHEMBL22247029 0.79 LGALS3 (0.56) LGALS3LGALS1
SCHEMBL28632466 0.79 LGALS3 (0.61) LGALS3LGALS1

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-2016120403-A1 ALPHA-D-GALACTOSIDE INHIBITORS OF GALECTINS GALECTO BIOTECH AB (DK) 2016-08-04 — — WO disclosed
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