SCHEMBL22247258

SCHEMBL22247258

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

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LGALS3 P17931 20/20 0.75
LGALS1 P09382 4/20 0.75

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
SCHEMBL17964039 0.87 LGALS3 (0.75) LGALS3LGALS1
SCHEMBL17993057 0.87 LGALS3 (0.75) LGALS3LGALS1
SCHEMBL28706097 0.86 LGALS3 (0.84) LGALS3LGALS1
SCHEMBL21756583 0.85 LGALS3 (0.85) LGALS3LGALS1
SCHEMBL22247034 0.85 LGALS3 (0.72) LGALS3LGALS1
SCHEMBL22243301 0.85 LGALS3 (0.85) LGALS3LGALS1
SCHEMBL17432823 0.85 LGALS3 (0.85) LGALS3LGALS1
SCHEMBL17993163 0.84 LGALS3 (1.00) LGALS3LGALS1
SCHEMBL17964130 0.84 LGALS3 (1.00) LGALS3LGALS1
SCHEMBL19681032 0.84 LGALS3 (1.00) 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