SCHEMBL28087733

SCHEMBL28087733

O=C(O)COC(=O)O.[MgH2].[NaH]

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.43
CTH P32929 1/20 0.43
CBS P35520 1/20 0.43
THPO P40225 1/20 0.43
THRB P10828 1/20 0.41
PAM P19021 3/20 0.38
ALOX15 P16050 1/20 0.33
LDHA P00338 1/20 0.32
SRR Q9GZT4 1/20 0.32
LMNA P02545 1/20 0.32
ALKBH5 Q6P6C2 1/20 0.32
SUCNR1 Q9BXA5 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
GAA P10253 1/20 0.31
ALDH1A1 P00352 1/20 0.31
FFAR3 O14843 1/20 0.30
GLRA1 P23415 1/20 0.30
SLC6A9 P48067 1/20 0.30
OR51E2 Q9H255 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
SCHEMBL3057906 0.94
SCHEMBL30288115 0.90
Acetic Acid SCHEMBL11155590 0.85 PAM (0.41) TSHRCTHCBSTHPOTHRB
Acetic Acid SCHEMBL11150570 0.82 PAM (0.40) TSHRCTHCBSTHPOTHRB
Silicate SCHEMBL11616093 0.82 TSHR (0.39) TSHRCTHCBSTHPOTHRB
SCHEMBL10495649 0.78 TSHR (0.45) TSHRCTHCBSTHPOTHRB
SCHEMBL3182447 0.73 TSHR (0.47) TSHRCTHCBSTHPOTHRB
SCHEMBL6278211 0.73 TSHR (0.47) TSHRCTHCBSTHPOTHRB
SCHEMBL5223519 0.73 TSHR (0.33) TSHRCTHCBSTHPOTHRB
SCHEMBL3094437 0.73 ALDH1A1 (0.48) TSHRCTHCBSTHPOTHRB

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-106420886-A Composition with physical fatigue alleviating and immunity enhancing functions, and preparation method thereof 珠海宝德润生健康科技有限公司 2017-02-22 CN disclosed
CN-106177223-A A kind of have compositions alleviating asthenopia function and preparation method thereof 北京宝德润生医药科技发展有限公司 2016-12-07 CN disclosed
CN-106176877-A A kind of compositions with enhancing immunity function and preparation method thereof 北京宝德润生医药科技发展有限公司 2016-12-07 CN disclosed
CN-106177746-A A kind of to chemical liver injury compositions with auxiliary protection function and preparation method thereof 北京宝德润生医药科技发展有限公司 2016-12-07 CN disclosed
CN-106177166-A A kind of compositions with function of physical fatigue alleviation and preparation method thereof 北京宝德润生医药科技发展有限公司 2016-12-07 CN disclosed
CN-105770715-A Composition with blood sugar lowering function, and preparation method thereof 北京宝德润生医药科技发展有限公司 2016-07-20 CN disclosed
CN-105767718-A Composition with function of dispelling chloasma and preparation method of composition 北京宝德润生医药科技发展有限公司 2016-07-20 CN disclosed