SCHEMBL8440554

SCHEMBL8440554

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

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OR51E2 Q9H255 1/20 0.36
AKR1B1 P15121 1/20 0.36
MPI P34949 1/20 0.34
CYP2C9 P11712 1/20 0.30
TSHR P16473 1/20 0.30
PDE4A P27815 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
SCHEMBL18341435 1.00 OR51E2 (0.36) OR51E2AKR1B1MPICYP2C9TSHR
SCHEMBL7745684 1.00 OR51E2 (0.36) OR51E2AKR1B1MPICYP2C9TSHR
Xylose SCHEMBL9358335 0.93 LMNA (0.34) OR51E2AKR1B1MPICYP2C9TSHR
SCHEMBL27463109 0.83 CYP2C9 (0.39) AKR1B1MPICYP2C9TSHRPDE4A
SCHEMBL117909 0.82
SCHEMBL424699 0.82
SCHEMBL21114435 0.82 AKR1B1 (0.50) OR51E2AKR1B1MPIPDE4A
SCHEMBL21114434 0.82 AKR1B1 (0.50) OR51E2AKR1B1MPIPDE4A
SCHEMBL799754 0.82
SCHEMBL23308 0.82

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
US-5877311-A ISOMERIZATION USING ORGANOGERMANIUM COMPOUND NATIONAL FOOD RESEARCH INSTITUTE, MINISTRY OF AGRICULTURE, FORESTRY & FISHERIES (JP) 1999-03-02 US disclosed
EP-0628050-B1 PROCESS FOR ISOMERIZATION OF COMPOUND OF ALDOSE STRUCTURE INTO COMPOUND OF KETOSE STRUCTURE, AND ISOMERIZATION AGENT OR ACCELERATOR USED THEREIN JP NATIONAL FOOD RESEARCH INST (JP) 1998-04-08 EP disclosed
CN-1036922-C Method for isomerizing compound with aldose structure into compound with ketose structure CHAYASHI TOSHIO (JP) 1998-01-07 CN disclosed
US-5679787-A ISOMERIZATION IN THE PRESENCE OF ORGANOGERMANIUM COMPOUND NATIONAL FOOD RESEARCH INSTITUTE, MINISTRY OF AGRICULTURE, FORESTRY AND FISHERIES (JP) 1997-10-21 US disclosed
CN-1094053-A Method for isomerizing aldose structural compound into ketose structural compound and isomerization agent or accelerator therefor CHAYASHI TOSHIO (JP) 1994-10-26 CN disclosed