SCHEMBL22247211

SCHEMBL22247211

O=C(O)[C@@H](OCc1cccc(F)c1)[C@@H]1OC(CO)[C@H](O)C(n2cc(-c3cc(F)c(F)c(F)c3)nn2)C1O

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ LGALS3 P17931 20/20 0.58
▸ LGALS1 P09382 3/20 0.56

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
SCHEMBL22247087 0.94 LGALS3 (0.63) LGALS3LGALS1
SCHEMBL22247162 0.94 LGALS3 (0.63) LGALS3LGALS1
SCHEMBL22247202 0.93 LGALS3 (0.59) LGALS3LGALS1
SCHEMBL22247287 0.92 LGALS3 (0.59) LGALS3LGALS1
SCHEMBL22247215 0.92 LGALS3 (0.62) LGALS3
SCHEMBL22247160 0.92 LGALS3 (0.57) LGALS3LGALS1
SCHEMBL22247165 0.90 LGALS3 (0.56) LGALS3LGALS1
SCHEMBL22247167 0.90 LGALS3 (0.60) LGALS3LGALS1
SCHEMBL22247285 0.90 LGALS3 (0.59) LGALS3LGALS1
SCHEMBL22247249 0.89 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-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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