SCHEMBL27212434

SCHEMBL27212434

COc1cccc(C(=O)O[C@@H]2[C@H](n3cc(-c4cc(F)c(F)c(F)c4)nn3)[C@@H](O)[C@@H](CO)O[C@]23CCCCO3)c1

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ LGALS3 P17931 20/20 0.53

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
SCHEMBL30901859 1.00 LGALS3 (0.53) LGALS3
SCHEMBL24840498 1.00 LGALS3 (0.53) LGALS3
SCHEMBL27230703 1.00 LGALS3 (0.53) LGALS3
SCHEMBL24840436 0.98 LGALS3 (0.53) LGALS3
SCHEMBL24841064 0.93 LGALS3 (0.51) LGALS3
SCHEMBL27232558 0.93 LGALS3 (0.51) LGALS3
SCHEMBL24841046 0.90 LGALS3 (0.49) LGALS3
SCHEMBL27232626 0.89 LGALS3 (0.52) LGALS3
SCHEMBL24840486 0.89 LGALS3 (0.52) LGALS3
SCHEMBL24840980 0.89 LGALS3 (0.53) 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
EP-4365181-A1 GALACTOSIDE DERIVATIVE AS GALECTIN-3 INHIBITOR TiumBio Co., Ltd. (KR) 2024-05-08 — — EP disclosed
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