SCHEMBL29646616

SCHEMBL29646616

COC1C(C(=O)N(c2cc(Br)cc(Br)c2)[C@@H]2CCC[C@H]2O)OC(CO)C(O)C1n1cc(-c2cc(F)c(F)c(F)c2)nn1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ LGALS3 P17931 20/20 0.58
▸ LGALS9 O00182 1/20 0.58
▸ LGALS1 P09382 1/20 0.58

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
SCHEMBL26626140 1.00 LGALS3 (0.58) LGALS3LGALS9LGALS1
SCHEMBL26626118 1.00 LGALS3 (0.58) LGALS3LGALS9LGALS1
SCHEMBL29646586 1.00 LGALS3 (0.58) LGALS3LGALS9LGALS1
SCHEMBL22981149 0.99 LGALS3 (0.58) LGALS3LGALS9LGALS1
SCHEMBL29646580 0.96 LGALS3 (0.57) LGALS3LGALS9LGALS1
SCHEMBL29646629 0.96 LGALS3 (0.57) LGALS3LGALS9LGALS1
SCHEMBL31490752 0.96 LGALS3 (0.57) LGALS3LGALS9LGALS1
SCHEMBL26626086 0.96 LGALS3 (0.54) LGALS3LGALS9LGALS1
SCHEMBL26626005 0.96 LGALS3 (0.54) LGALS3LGALS9LGALS1
SCHEMBL26626135 0.96 LGALS3 (0.57) LGALS3LGALS9LGALS1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4237419-A1 GALECTIN-3 INHIBITING 2-HYDROXYCYCLOALKANE-1 -CARBAMOYL DERIVATIVES Idorsia Pharmaceuticals Ltd (CH) 2023-09-06 — — EP disclosed
WO-2022090544-A1 GALECTIN-3 INHIBITING 2-HYDROXYCYCLOALKANE-1 -CARBAMOYL DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2022-05-05 — — WO disclosed
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