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Sugi Predict / Compounds / SCHEMBL17964099

SCHEMBL17964099

SCHEMBL17964099

[O-][S+]([C@H]1O[C@H](CO)[C@H](O)[C@H](n2cc(-c3cc(F)c(F)c(F)c3)nn2)[C@H]1O)[C@H]1O[C@H](CO)[C@H](O)[C@H](n2cc(-c3cc(F)c(F)c(F)c3)nn2)[C@H]1O

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ LGALS3 P17931 20/20 0.71
▸ LGALS1 P09382 3/20 0.71

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
SCHEMBL19680618 0.86 LGALS3 (0.71) LGALS3
SCHEMBL17964040 0.86 LGALS3 (0.71) LGALS3
SCHEMBL22852643 0.86 LGALS3 (0.71) LGALS3
SCHEMBL19680664 0.86 LGALS3 (0.71) LGALS3
SCHEMBL19677679 0.86 LGALS3 (0.71) LGALS3
SCHEMBL19680619 0.85 LGALS3 (0.69) LGALS3LGALS1
SCHEMBL17964160 0.85 LGALS3 (0.69) LGALS3LGALS1
SCHEMBL20911330 0.85 LGALS3 (0.69) LGALS3LGALS1
SCHEMBL19680616 0.85 LGALS3 (0.69) LGALS3LGALS1
SCHEMBL17993223 0.85 LGALS3 (0.69) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3250581-A1 ALPHA-D-GALACTOSIDE INHIBITORS OF GALECTINS Galecto Biotech AB (DK) 2017-12-06 — — EP claimed
WO-2016120403-A1 ALPHA-D-GALACTOSIDE INHIBITORS OF GALECTINS GALECTO BIOTECH AB (DK) 2016-08-04 — — WO claimed
EP-3250581-A1 ALPHA-D-GALACTOSIDE INHIBITORS OF GALECTINS Galecto Biotech AB (DK) 2017-12-06 — — EP disclosed
WO-2016120403-A1 ALPHA-D-GALACTOSIDE INHIBITORS OF GALECTINS GALECTO BIOTECH AB (DK) 2016-08-04 — — WO disclosed
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