SCHEMBL9809652

SCHEMBL9809652

O=C[C@H]1OC(c2ccccc2)O[C@@H](CO)[C@H]1O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 5/20 0.43
ALDH1A1 P00352 1/20 0.40
CA12 O43570 4/20 0.37
CA1 P00915 4/20 0.37
CA2 P00918 4/20 0.37
CA4 P22748 4/20 0.37
CA5A P35218 4/20 0.37
CA7 P43166 4/20 0.37
CA9 Q16790 4/20 0.37
CA13 Q8N1Q1 3/20 0.37
CA14 Q9ULX7 2/20 0.37
CA3 P07451 1/20 0.37
CA6 P23280 1/20 0.37

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
SCHEMBL4633309 0.84 SLC5A2 (0.53) SLC5A2
SCHEMBL7155412 0.84 SLC5A2 (0.53) SLC5A2
SCHEMBL2384795 0.78 SLC5A2 (0.45) SLC5A2ALDH1A1
SCHEMBL13590060 0.78 SLC5A2 (0.45) SLC5A2ALDH1A1
SCHEMBL10590087 0.78 SLC5A2 (0.45) SLC5A2ALDH1A1
SCHEMBL9147451 0.77 MANBA (0.35) SLC5A2ALDH1A1
SCHEMBL3441519 0.77 ALDH1A1 (0.38) ALDH1A1CA1CA2CA9
SCHEMBL6199542 0.76 SLC5A2 (0.55) SLC5A2
SCHEMBL7154382 0.73 SLC5A2 (0.41) SLC5A2ALDH1A1
SCHEMBL31135220 0.73 SLC5A2 (0.41) SLC5A2ALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111333689-A Separation, purification and refining process of 2, 4-O-benzylidene-L-xylose 西南化工研究设计院有限公司 2020-06-26 CN claimed
CN-111333689-A Separation, purification and refining process of 2, 4-O-benzylidene-L-xylose 西南化工研究设计院有限公司 2020-06-26 CN disclosed
CN-111333689-A Separation, purification and refining process of 2, 4-O-benzylidene-L-xylose 西南化工研究设计院有限公司 2020-06-26 CN disclosed
CN-111333689-A Separation, purification and refining process of 2, 4-O-benzylidene-L-xylose 西南化工研究设计院有限公司 2020-06-26 CN disclosed
WO-2018127236-A1 PREPARATION METHOD FOR (2S,3R,4S)-2,3,4,5-TETRAHYDROXY-VALERALDEHYDE 西南化工研究设计院有限公司 2018-07-12 WO disclosed
US-RE33719-E Sweetened edible formulations BIOSPHERICS INCORPORATED (US) 1991-10-15 US disclosed
US-4262032-A L-HEXOSE MONOSACCHARIDES BIOSPHERICS INCORPORATED (US) 1981-04-14 US disclosed