SCHEMBL20868890

SCHEMBL20868890

OC[C@H]1O[C@@H](c2ncnn2-c2cc(Cl)cc(Cl)c2)[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
SCHEMBL23374400 0.95 LGALS3 (0.91) LGALS3
SCHEMBL20856367 0.93 LGALS3 (1.00) LGALS3
SCHEMBL20935484 0.93 LGALS3 (1.00) LGALS3
SCHEMBL20868889 0.90 LGALS3 (1.00) LGALS3
SCHEMBL20868795 0.90 LGALS3 (1.00) LGALS3
SCHEMBL23374232 0.89 LGALS3 (0.91) LGALS3
SCHEMBL23374246 0.89 LGALS3 (1.00) LGALS3
SCHEMBL20935509 0.89 LGALS3 (1.00) LGALS3
SCHEMBL20935685 0.88 LGALS3 (1.00) LGALS3
SCHEMBL20935502 0.87 LGALS3 (0.88) 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 2 patents. 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
WO-2019067702-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 BRISTOL-MYERS SQUIBB COMPANY (US) 2019-04-04 — — WO disclosed
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