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Sugi Predict / Compounds / SCHEMBL26977364

SCHEMBL26977364

SCHEMBL26977364

CO[C@@H]1[C@@H](n2cc(-c3cc(F)c(F)c(F)c3)nn2)[C@@H](O)[C@@H](CO)O[C@@H]1Cc1cc(C(C)(C)C)on1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ LGALS3 P17931 20/20 0.55
▸ LGALS1 P09382 6/20 0.54
▸ LGALS9 O00182 2/20 0.52

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
SCHEMBL26977177 0.95 LGALS3 (0.54) LGALS3
SCHEMBL23041925 0.94 LGALS3 (0.52) LGALS3LGALS1LGALS9
SCHEMBL26977281 0.94 LGALS3 (0.58) LGALS3LGALS1LGALS9
SCHEMBL23041820 0.92 LGALS3 (0.62) LGALS3LGALS1
SCHEMBL26977478 0.91 LGALS3 (0.57) LGALS3LGALS1
SCHEMBL26977207 0.90 LGALS3 (0.59) LGALS3
SCHEMBL26977472 0.89 LGALS3 (0.49) LGALS3LGALS1LGALS9
SCHEMBL23042121 0.88 LGALS3 (0.47) LGALS3LGALS1LGALS9
SCHEMBL29672528 0.88 LGALS3 (0.47) LGALS3LGALS1LGALS9
SCHEMBL23041999 0.88 LGALS3 (0.46) 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
EP-4021904-B1 ALPHA-D-GALACTOPYRANOSIDE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2024-01-03 — — EP disclosed
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