SCHEMBL28554669

SCHEMBL28554669

CC(=O)OCC(O)C(OC(C)=O)C(OC(C)=O)C(C=O)OC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
USP2 O75604 2/20 0.32
CYP3A4 P08684 2/20 0.32
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32
RECQL P46063 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
ABCB1 P08183 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
SCHEMBL845645 1.00 TDP1 (0.47) TDP1USP2CYP3A4MAPTSMN1; SMN2
SCHEMBL3489131 1.00 TDP1 (0.47) TDP1USP2CYP3A4MAPTSMN1; SMN2
SCHEMBL669311 1.00 TDP1 (0.47) TDP1USP2CYP3A4MAPTSMN1; SMN2
Bromide SCHEMBL1290055 0.98 TDP1 (0.46) TDP1USP2CYP3A4MAPTSMN1; SMN2
Bromide SCHEMBL1290128 0.98 TDP1 (0.46) TDP1USP2CYP3A4MAPTSMN1; SMN2
SCHEMBL9679260 0.95 TDP1 (0.49) TDP1USP2CYP3A4MAPTSMN1; SMN2
Propanol SCHEMBL4985613 0.93 TDP1 (0.41) TDP1
SCHEMBL6234229 0.89 TDP1 (0.46) TDP1USP2CYP3A4MAPTSMN1; SMN2
SCHEMBL17276716 0.86 TSHR (0.44) TDP1CYP3A4ALDH1A1HPGD
SCHEMBL9737328 0.85 TDP1 (0.46) TDP1USP2CYP3A4MAPTSMN1; SMN2

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-112608355-B Preparation method of tetraacetylglucose 北京悦康科创医药科技股份有限公司 2022-06-21 CN disclosed
CN-112608355-A Preparation method of tetraacetylglucose 北京悦康科创医药科技股份有限公司 2021-04-06 CN disclosed