SCHEMBL3357554

SCHEMBL3357554

NO[C@H](CO)[C@@H](O)[C@H](O)[C@@H](O)C=O.NO[C@H](CO)[C@@H](O)[C@H](O)[C@H](O)C=O

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.36
MPI P34949 1/20 0.34

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
SCHEMBL2323870 1.00 AKR1B1 (0.36) AKR1B1MPI
SCHEMBL2319597 1.00 AKR1B1 (0.36) AKR1B1MPI
SCHEMBL2319489 1.00 AKR1B1 (0.36) AKR1B1MPI
SCHEMBL3512416 0.94 AKR1B1 (0.37) AKR1B1MPI
SCHEMBL1735271 0.94 AKR1B1 (0.37) AKR1B1MPI
SCHEMBL8891159 0.94 AKR1B1 (0.37) AKR1B1MPI
SCHEMBL6136752 0.94 AKR1B1 (0.37) AKR1B1MPI
Phosphoric Acid SCHEMBL10786308 0.86 MPI (0.43) AKR1B1MPI
SCHEMBL7687540 0.79 AKR1B1 (0.36) AKR1B1MPI
SCHEMBL18788335 0.79 AKR1B1 (0.36) AKR1B1MPI

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-2150620-A2 METHOD FOR PREPARING C-6 PHOSPHORYLATED D-ALDOHEXOSES AND C-6 PHOSPHORYLATED D-ALDOHEXOSE DERIVATIVES, AND NEW C-6 PHOSPHORYLATED D-ALDOHEXOSE DERIVATIVES Libragen (FR) 2010-02-10 EP disclosed
WO-2008142155-A2 METHOD FOR PREPARING C-6 PHOSPHORYLATED D-ALDOHEXOSES AND C-6 PHOSPHORYLATED D-ALDOHEXOSES DERIVATIVES AND NEW C-6 PHOSPHORYLATED D-ALDOHEXOSES DERIVATIVES LIBRAGEN (FR) 2008-11-27 WO disclosed