SCHEMBL22247255

SCHEMBL22247255

COC(=O)CC1OC(CO)C(O)C(n2cc(-c3cc(F)c(F)c(F)c3)nn2)C1OC

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ LGALS3 P17931 20/20 0.60
▸ LGALS1 P09382 3/20 0.59
▸ LGALS9 O00182 1/20 0.57

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
SCHEMBL22247026 0.93 LGALS3 (0.66) LGALS3LGALS1
SCHEMBL22247029 0.87 LGALS3 (0.56) LGALS3LGALS1LGALS9
SCHEMBL25406819 0.85 LGALS3 (0.61) LGALS3LGALS1
SCHEMBL29798663 0.85 LGALS3 (0.64) LGALS3LGALS1LGALS9
SCHEMBL28715331 0.83 LGALS3 (0.72) LGALS3LGALS1
SCHEMBL22247034 0.82 LGALS3 (0.72) LGALS3LGALS1
SCHEMBL31681856 0.82 LGALS3 (0.66) LGALS3LGALS1
SCHEMBL26727629 0.81 LGALS3 (0.66) LGALS3LGALS1
SCHEMBL31576121 0.81 LGALS3 (0.61) LGALS3LGALS1LGALS9
SCHEMBL28755721 0.81 LGALS3 (0.42) LGALS3LGALS1LGALS9

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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