SCHEMBL27970168

SCHEMBL27970168

CC(=O)C(O)[C@H]1O[C@@H](Oc2cccc(CO)c2)[C@@](O)(C(C)=O)[C@](O)(C(C)=O)[C@@]1(O)C(C)=O

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MTNR1B P49286 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
SCHEMBL8740689 0.86 MRGPRX4 (0.35) SMN1; SMN2
SCHEMBL9049283 0.84
SCHEMBL9789419 0.84
SCHEMBL9049291 0.84
SCHEMBL2589085 0.76
SCHEMBL2998182 0.74 LMNA (0.32)
SCHEMBL14895328 0.74 EPHX1 (0.35)
SCHEMBL9235203 0.73 SLC1A3 (0.32)
SCHEMBL2416834 0.73 PDPK1 (0.33)
SCHEMBL9093991 0.73

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
CN-104262422-A A chemical synthesis method of 4-(3,4-dihydroxybenzoyloxymethyl)-phenyl-O-beta-D-glucopyranoside UNIV QINGDAO AGRICULTURAL 2015-01-07 CN claimed
CN-104262422-A A chemical synthesis method of 4-(3,4-dihydroxybenzoyloxymethyl)-phenyl-O-beta-D-glucopyranoside UNIV QINGDAO AGRICULTURAL 2015-01-07 CN disclosed