SCHEMBL22247253

SCHEMBL22247253

COC(=O)[C@@H](OCc1ccccc1)[C@@H]1OC(CO)[C@H](O)C(n2cc(-c3cc(F)c(F)c(F)c3)nn2)C1OC

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ LGALS3 P17931 20/20 0.55
▸ LGALS1 P09382 2/20 0.53
▸ LGALS9 O00182 1/20 0.53

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
SCHEMBL22247030 0.90 LGALS3 (0.52) LGALS3LGALS1LGALS9
SCHEMBL22247162 0.86 LGALS3 (0.63) LGALS3LGALS1
SCHEMBL22247087 0.86 LGALS3 (0.63) LGALS3LGALS1
SCHEMBL22247210 0.81 LGALS3 (0.60) LGALS3LGALS1
SCHEMBL22247211 0.81 LGALS3 (0.58) LGALS3LGALS1
SCHEMBL22247215 0.81 LGALS3 (0.62) LGALS3
SCHEMBL22247287 0.80 LGALS3 (0.59) LGALS3LGALS1
SCHEMBL22247202 0.80 LGALS3 (0.59) LGALS3LGALS1
SCHEMBL22247276 0.79 LGALS3 (0.63) LGALS3
SCHEMBL22247239 0.79 LGALS3 (0.62) 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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