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Sugi Predict / Compounds / SCHEMBL28742290

SCHEMBL28742290

SCHEMBL28742290

CO[C@@H]1[C@@H](n2cc(-c3cc(F)c(F)c(F)c3)nn2)[C@@H](O)[C@@H](CO)O[C@H]1C(=O)N(c1cc(Cl)cc(Br)c1)[C@H]1CCCC[C@@H]1O

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ LGALS3 P17931 20/20 0.57
▸ LGALS9 O00182 1/20 0.55
▸ LGALS1 P09382 1/20 0.55

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
SCHEMBL29448713 1.00 LGALS3 (0.57) LGALS3LGALS9LGALS1
SCHEMBL22981149 0.95 LGALS3 (0.58) LGALS3LGALS9LGALS1
SCHEMBL31324500 0.95 LGALS3 (0.60) LGALS3LGALS9LGALS1
SCHEMBL22981974 0.95 LGALS3 (0.60) LGALS3LGALS9LGALS1
SCHEMBL22982547 0.95 LGALS3 (0.60) LGALS3LGALS9LGALS1
SCHEMBL29646573 0.94 LGALS3 (0.60) LGALS3LGALS9LGALS1
SCHEMBL26626140 0.94 LGALS3 (0.58) LGALS3LGALS9LGALS1
SCHEMBL29646586 0.94 LGALS3 (0.58) LGALS3LGALS9LGALS1
SCHEMBL29646616 0.94 LGALS3 (0.58) LGALS3LGALS9LGALS1
SCHEMBL26626061 0.94 LGALS3 (0.60) 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
CN-114269737-A 2-hydroxycycloalkane-1-carbamoyl derivatives 爱杜西亚药品有限公司 2022-04-01 — — CN claimed
CN-114269737-A 2-hydroxycycloalkane-1-carbamoyl derivatives 爱杜西亚药品有限公司 2022-04-01 — — CN disclosed
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