SCHEMBL20916746

SCHEMBL20916746

COC1C(c2nncn2-c2ccc3nc(C)sc3c2)OC(CO)C(O)C1n1cc(-c2cc(F)c(F)c(F)c2)nn1

nearest known ligand 0.87

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ LGALS3 P17931 20/20 0.87

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
SCHEMBL20856628 1.00 LGALS3 (0.87) LGALS3
SCHEMBL20868904 0.93 LGALS3 (1.00) LGALS3
SCHEMBL20868743 0.89 LGALS3 (1.00) LGALS3
SCHEMBL20868595 0.88 LGALS3 (1.00) LGALS3
SCHEMBL20856577 0.87 LGALS3 (0.74) LGALS3
SCHEMBL22484324 0.86 LGALS3 (0.81) LGALS3
SCHEMBL22484327 0.86 LGALS3 (0.93) LGALS3
SCHEMBL20869063 0.86 LGALS3 (1.00) LGALS3
SCHEMBL20856633 0.86 LGALS3 (0.85) LGALS3
SCHEMBL20868593 0.85 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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