SCHEMBL30158235

SCHEMBL30158235

OC[C@H]1O[C@@]2(CCCO2)[C@H](OCCN2CC(F)(F)C2)[C@@H](n2cc(-c3cc(F)c(F)c(F)c3)nn2)[C@H]1O

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ LGALS3 P17931 20/20 0.49
▸ LGALS1 P09382 3/20 0.47

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
SCHEMBL24840825 0.88 LGALS3 (0.54) LGALS3LGALS1
SCHEMBL24841026 0.86 LGALS3 (0.51) LGALS3LGALS1
SCHEMBL24840862 0.85 LGALS3 (0.53) LGALS3LGALS1
SCHEMBL24840752 0.85 LGALS3 (0.52) LGALS3LGALS1
SCHEMBL27212363 0.85 LGALS3 (0.52) LGALS3LGALS1
SCHEMBL24840799 0.84 LGALS3 (0.56) LGALS3LGALS1
SCHEMBL24842117 0.84 LGALS3 (0.50) LGALS3LGALS1
SCHEMBL30157455 0.83 LGALS3 (0.53) LGALS3LGALS1
SCHEMBL24841018 0.83 LGALS3 (0.58) LGALS3LGALS1
SCHEMBL24840647 0.83 LGALS3 (0.58) 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 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
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