SCHEMBL28515007

SCHEMBL28515007

C=CC(=O)OC(C)(C)C.C=COC(C)=O

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL10533072 0.88 KEAP1 (0.31)
Acetone SCHEMBL28320511 0.85 ALDH1A1 (0.41) ALDH1A1TSHRTP53CYP3A4MAPK1
SCHEMBL28292945 0.85 ALDH1A1 (0.41) ALDH1A1TSHRTP53CYP3A4MAPK1
SCHEMBL30658 0.85
SCHEMBL28051179 0.85 TSHR (0.39) ALDH1A1TSHRTP53CYP3A4MAPK1
SCHEMBL4610941 0.83 ALDH1A1 (0.39) ALDH1A1TSHRTP53CYP3A4MAPK1
Acetic Acid SCHEMBL28197409 0.83 ALDH1A1 (0.39) ALDH1A1TSHRTP53CYP3A4MAPK1
SCHEMBL31210190 0.83 TSHR (0.38) ALDH1A1TSHRTP53CYP3A4MAPK1
Phosphine SCHEMBL28845129 0.83 TSHR (0.38) ALDH1A1TSHRTP53CYP3A4MAPK1
Ammonia Solution, Strong SCHEMBL1020874 0.83 TSHR (0.38) ALDH1A1TSHRTP53CYP3A4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112358585-B Method for preparing polymer nano microspheres by dispersion copolymerization of polar monomer and non-polar monomer 内蒙古工业大学 2023-03-14 CN disclosed
CN-115058160-A Priming emulsion of environment-friendly steel structure fireproof coating and application thereof 湖州盛世华骏新型材料股份有限公司 2022-09-16 CN disclosed
CN-112358585-A Method for preparing polymer nano microspheres by dispersing and copolymerizing polar monomer and nonpolar monomer 内蒙古工业大学 2021-02-12 CN disclosed
CN-105273722-A Sand solidification method CHINA PETROCHEMICAL CORP 2016-01-27 CN disclosed