SCHEMBL2316079

SCHEMBL2316079

O=C[C@H](O)C[C@H](O)[C@@H](S)CO

nearest known ligand 0.50

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.50

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
SCHEMBL2316111 0.78 AKR1B1 (0.36) AKR1B1
SCHEMBL25916469 0.78 AKR1B1 (0.57) AKR1B1
SCHEMBL319227 0.78 AKR1B1 (0.57) AKR1B1
SCHEMBL1747065 0.78 AKR1B1 (0.57) AKR1B1
SCHEMBL1658629 0.78 AKR1B1 (0.57) AKR1B1
SCHEMBL5319919 0.78 AKR1B1 (0.57) AKR1B1
SCHEMBL16600332 0.78 AKR1B1 (0.57) AKR1B1
SCHEMBL447075 0.78 AKR1B1 (0.57) AKR1B1
SCHEMBL9910548 0.77 AKR1B1 (0.53) AKR1B1
SCHEMBL28179278 0.76 AKR1B1 (0.55) AKR1B1

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 5 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 claimed
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 claimed
EP-1995323-A1 Method for preparing C-6 phosphorylated D-aldohexoses and C-6 phosphorylated D-aldohexose derivatives Libragen (FR) 2008-11-26 EP claimed
EP-2150620-B1 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) 2011-08-10 EP disclosed
EP-1995323-A1 Method for preparing C-6 phosphorylated D-aldohexoses and C-6 phosphorylated D-aldohexose derivatives Libragen (FR) 2008-11-26 EP disclosed