SCHEMBL22247029

SCHEMBL22247029

COC1C(CC(=O)O)OC(CO)C(O)C1n1cc(-c2cc(C)c(F)c(F)c2)nn1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ LGALS3 P17931 20/20 0.56
▸ LGALS1 P09382 3/20 0.54
▸ LGALS9 O00182 1/20 0.54

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
SCHEMBL22247255 0.87 LGALS3 (0.60) LGALS3LGALS1LGALS9
SCHEMBL22247034 0.85 LGALS3 (0.72) LGALS3LGALS1
SCHEMBL22247026 0.81 LGALS3 (0.66) LGALS3LGALS1
SCHEMBL25406819 0.81 LGALS3 (0.61) LGALS3LGALS1
SCHEMBL29798663 0.81 LGALS3 (0.64) LGALS3LGALS1LGALS9
SCHEMBL22247030 0.80 LGALS3 (0.52) LGALS3LGALS1LGALS9
SCHEMBL31681856 0.80 LGALS3 (0.66) LGALS3LGALS1
SCHEMBL17993172 0.79 LGALS3 (0.66) LGALS3LGALS1
SCHEMBL29889553 0.79 LGALS3 (0.65) LGALS3LGALS1
SCHEMBL26977549 0.79 LGALS3 (0.57) 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-2020150263-A1 SELECTIN OR GALECTIN ANTAGONISTS FOR TREATING CYTOKINE RELEASE SYNDROME AND CRS-INDUCED NEUROTOXICITY MAGNANI JOHN L (US) 2020-07-23 — — WO disclosed
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