SCHEMBL24840795

SCHEMBL24840795

CC1(C)OC[C@H]2O[C@@]3(CCCO3)[C@H](OCC(=O)N3CCC(O)CC3)[C@@H](n3cc(-c4cc(F)c(F)c(F)c4)nn3)[C@H]2O1

nearest known ligand 0.42

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ LGALS3 P17931 20/20 0.42

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
SCHEMBL24840725 0.93 LGALS3 (0.45) LGALS3
SCHEMBL24840826 0.92 LGALS3 (0.43) LGALS3
SCHEMBL27212377 0.89 LGALS3 (0.39) LGALS3
SCHEMBL24840588 0.89 LGALS3 (0.39) LGALS3
SCHEMBL27212427 0.88 LGALS3 (0.36) LGALS3
SCHEMBL24840753 0.88 LGALS3 (0.36) LGALS3
SCHEMBL27212429 0.87 LGALS3 (0.39) LGALS3
SCHEMBL24840771 0.87 LGALS3 (0.39) LGALS3
SCHEMBL24840777 0.86 LGALS3 (0.36) LGALS3
SCHEMBL27212380 0.86 LGALS3 (0.36) 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
WO-2023277630-A1 GALACTOSIDE DERIVATIVE AS GALECTIN-3 INHIBITOR 주식회사 티움바이오 2023-01-05 — — WO disclosed
Send feedback