SCHEMBL4617635

SCHEMBL4617635

CC(=O)O[C@H]1O[C@@](CO)(C(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1F

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.30

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
SCHEMBL3547731 0.88 OGA (0.32) ABCB1
SCHEMBL8533169 0.88 OGA (0.32) ABCB1
SCHEMBL11669546 0.88 OGA (0.32) ABCB1
SCHEMBL3207681 0.87 OGA (0.34)
SCHEMBL14312202 0.84 ABCB1 (0.32) ABCB1
SCHEMBL17004686 0.83
SCHEMBL813499 0.82
SCHEMBL812463 0.78 ABCB1 (0.31) ABCB1
SCHEMBL9452989 0.77 ABCB1 (0.32) ABCB1
SCHEMBL11759427 0.71 OGA (0.41)

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-1881000-A1 Conjugates of 2-fluoro-2-deoxy-glucose and their uses as anti cancer agents INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2008-01-23 EP disclosed