SCHEMBL12899728

SCHEMBL12899728

C[C@@H]1O[C@H]([C@H](C)O)[C@H](O)C1O

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OGA O60502 15/20 0.39
FUCA1 P04066 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 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
SCHEMBL18016611 1.00 OGA (0.39) OGAFUCA1HDAC3HDAC1HDAC2
SCHEMBL10000336 1.00 OGA (0.39) OGAFUCA1HDAC3HDAC1HDAC2
SCHEMBL12899732 1.00 OGA (0.39) OGAFUCA1HDAC3HDAC1HDAC2
SCHEMBL12929838 1.00 OGA (0.39) OGAFUCA1HDAC3HDAC1HDAC2
SCHEMBL12899718 1.00 OGA (0.39) OGAFUCA1HDAC3HDAC1HDAC2
SCHEMBL13177056 1.00 OGA (0.39) OGAFUCA1HDAC3HDAC1HDAC2
SCHEMBL13190385 1.00 OGA (0.39) OGAFUCA1HDAC3HDAC1HDAC2
SCHEMBL12899725 1.00 OGA (0.39) OGAFUCA1HDAC3HDAC1HDAC2
SCHEMBL14257089 0.82 FUCA1 (0.34) FUCA1CA12CA2CA9
SCHEMBL18767734 0.82 FUCA1 (0.34) FUCA1CA12CA2CA9

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
US-7884202-B2 Nucleobases are perfluoroalkylated in a one step process with a perfluoroalkyl halide in the presence of a sulfoxide, a peroxide and an iron compound; useful as medicinal drugs, intermediates for medicinal drugs and agricultural chemicals TOSOH CORPORATION (JP) 2011-02-08 US disclosed