SCHEMBL7899776

SCHEMBL7899776

CC(=O)OC1O[C@@H](C)[C@@H](NC(=O)C(F)(F)F)[C@@H](OC(C)=O)[C@H]1F

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 2/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ OGA O60502 1/20 0.31

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
SCHEMBL7899433 1.00 CA9 (0.33) CA9CA12CA1CA2OGA
SCHEMBL8102547 1.00 CA9 (0.33) CA9CA12CA1CA2OGA
SCHEMBL8102551 1.00 CA9 (0.33) CA9CA12CA1CA2OGA
SCHEMBL7899437 1.00 CA9 (0.33) CA9CA12CA1CA2OGA
SCHEMBL7899438 1.00 CA9 (0.33) CA9CA12CA1CA2OGA
SCHEMBL7793964 0.85 CA9 (0.32) CA9CA12CA1CA2
SCHEMBL7892018 0.85 CA9 (0.32) CA9CA12CA1CA2
SCHEMBL7892019 0.85 CA9 (0.32) CA9CA12CA1CA2
SCHEMBL7793969 0.85 CA9 (0.32) CA9CA12CA1CA2
SCHEMBL11420641 0.83 CA9 (0.37) CA9CA12CA1CA2OGA

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
US-6184365-B1 3,4-DI-O,N-PROTECTED-4-AMINO-2,4,6-TRIDEOXY-2-FLUORO-L-TALOPYR ANOSYL IODIDE OR BROMIDE; CHEMICAL INTERMEDIATES FOR PRODUCTION OF NOVEL DAUNOMYCINONE OR ADRIAMYCINONE DERIVATIVES ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 2001-02-06 — — US disclosed
EP-0848010-A1 Novel anthracycline derivatives having 4-amino-2,4,6-trideoxy-2-fluoro-alpha-L-talopyranosyl group ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1998-06-17 — — EP disclosed
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