SCHEMBL28651100

SCHEMBL28651100

O=C(O)c1ccc(Cl)cc1S[C@H]1O[C@H](CO)[C@H](O)[C@H](n2cc(-c3cc(F)c(Cl)c(F)c3)nn2)[C@H]1O

nearest known ligand 0.76

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
LGALS3 P17931 20/20 0.76

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
SCHEMBL24213835 1.00 LGALS3 (0.76) LGALS3
SCHEMBL24213836 1.00 LGALS3 (0.76) LGALS3
SCHEMBL24089826 0.95 LGALS3 (0.84) LGALS3
SCHEMBL27175622 0.95 LGALS3 (0.84) LGALS3
SCHEMBL24089824 0.95 LGALS3 (0.84) LGALS3
SCHEMBL24213424 0.91 LGALS3 (0.85) LGALS3
SCHEMBL24213423 0.91 LGALS3 (0.85) LGALS3
SCHEMBL24213784 0.89 LGALS3 (0.84) LGALS3
SCHEMBL24213779 0.89 LGALS3 (0.84) LGALS3
SCHEMBL24213676 0.89 LGALS3 (0.85) LGALS3

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
CN-113412267-A alpha-D-galactoside inhibitors of galectins 格莱克特生物技术公司 2021-09-17 CN disclosed