SCHEMBL20935485

SCHEMBL20935485

Cn1ncnc1[C@@H]1O[C@H](CO)[C@H](O)[C@H](n2cc(-c3cc(F)c(F)c(F)c3)nn2)[C@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ LGALS3 P17931 20/20 1.00

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
SCHEMBL23374356 0.86 LGALS3 (1.00) LGALS3
SCHEMBL20868889 0.86 LGALS3 (1.00) LGALS3
SCHEMBL20935685 0.86 LGALS3 (1.00) LGALS3
SCHEMBL23374339 0.85 LGALS3 (0.75) LGALS3
SCHEMBL20868616 0.85 LGALS3 (0.86) LGALS3
SCHEMBL23374246 0.85 LGALS3 (1.00) LGALS3
SCHEMBL20935509 0.85 LGALS3 (1.00) LGALS3
SCHEMBL20868890 0.85 LGALS3 (1.00) LGALS3
SCHEMBL20868564 0.85 LGALS3 (1.00) LGALS3
SCHEMBL20869035 0.84 LGALS3 (1.00) 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-2019067702-A9 SMALL MOLECULE INHIBITORS OF GALECTIN-3 BRISTOL-MYERS SQUIBB COMPANY (US) 2019-04-25 — — WO disclosed
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