SCHEMBL30157315

SCHEMBL30157315

O=C(CO[C@@H]1[C@@H](n2cc(-c3cc(F)c(F)c(F)c3)nn2)[C@@H](O)[C@@H](CO)O[C@@]12CCCO2)Nc1ccc(Cl)nn1

nearest known ligand 0.46

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ LGALS3 P17931 20/20 0.46

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
SCHEMBL24842074 1.00 LGALS3 (0.46) LGALS3
SCHEMBL24840585 0.88 LGALS3 (0.49) LGALS3
SCHEMBL27212359 0.88 LGALS3 (0.49) LGALS3
SCHEMBL27212363 0.85 LGALS3 (0.52) LGALS3
SCHEMBL24840752 0.85 LGALS3 (0.52) LGALS3
SCHEMBL24840726 0.83 LGALS3 (0.56) LGALS3
SCHEMBL24840776 0.83 LGALS3 (0.52) LGALS3
SCHEMBL24840745 0.83 LGALS3 (0.51) LGALS3
SCHEMBL24841037 0.83 LGALS3 (0.47) LGALS3
SCHEMBL24840825 0.83 LGALS3 (0.54) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023277630-A1 GALACTOSIDE DERIVATIVE AS GALECTIN-3 INHIBITOR 주식회사 티움바이오 2023-01-05 — — WO claimed
CN-117836306-A Galactose glycoside derivatives as galectin-3 inhibitors 株式会社蒂奥姆生物 2024-04-05 — — CN disclosed
WO-2023277630-A1 GALACTOSIDE DERIVATIVE AS GALECTIN-3 INHIBITOR 주식회사 티움바이오 2023-01-05 — — WO disclosed
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