SCHEMBL27212356

SCHEMBL27212356

O=C(CO[C@H]1[C@@H](n2cc(-c3cc(F)c(F)c(F)c3)nn2)[C@@H](O)[C@@H](CO)O[C@@]12CCCO2)N1CCC(O)CC1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ LGALS3 P17931 20/20 0.53
▸ LGALS1 P09382 3/20 0.47

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
SCHEMBL24840793 1.00 LGALS3 (0.53) LGALS3LGALS1
SCHEMBL24840726 0.93 LGALS3 (0.56) LGALS3LGALS1
SCHEMBL24840825 0.92 LGALS3 (0.54) LGALS3LGALS1
SCHEMBL24840752 0.90 LGALS3 (0.52) LGALS3LGALS1
SCHEMBL27212363 0.90 LGALS3 (0.52) LGALS3LGALS1
SCHEMBL24840776 0.88 LGALS3 (0.52) LGALS3LGALS1
SCHEMBL24840745 0.86 LGALS3 (0.51) LGALS3LGALS1
SCHEMBL24841037 0.86 LGALS3 (0.47) LGALS3LGALS1
SCHEMBL24840795 0.85 LGALS3 (0.42) LGALS3
SCHEMBL24841026 0.85 LGALS3 (0.51) 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
EP-4365181-A1 GALACTOSIDE DERIVATIVE AS GALECTIN-3 INHIBITOR TiumBio Co., Ltd. (KR) 2024-05-08 — — EP claimed
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