SCHEMBL28923641

SCHEMBL28923641

CCC(CC)OC(=O)C1(C)C(C)(C)CCCC1(C)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL28923755 0.82 ALDH1A1 (0.31) ALDH1A1
SCHEMBL28409265 0.81 ALDH1A1 (0.34) ALDH1A1
SCHEMBL28408012 0.71 ALDH1A1 (0.32) ALDH1A1
SCHEMBL14362836 0.68 FFAR3 (0.43) TSHRNFKB1CYP2C19ALDH1A1
SCHEMBL3315131 0.68 FFAR3 (0.43) TSHRNFKB1CYP2C19ALDH1A1
SCHEMBL14396686 0.68 FFAR3 (0.43) TSHRNFKB1CYP2C19ALDH1A1
SCHEMBL29184377 0.65 FFAR3 (0.50) TSHRNFKB1CYP2C19ALDH1A1
SCHEMBL9310198 0.64 FFAR3 (0.43) TSHRNFKB1CYP2C19ALDH1A1
SCHEMBL9312387 0.64 FFAR3 (0.43) TSHRNFKB1CYP2C19ALDH1A1
SCHEMBL2322621 0.64 FFAR3 (0.43) TSHRNFKB1CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111171195-B Propylene polymerization solid catalyst for reducing VOC and method for producing polypropylene using the same 韩华道达尔能源有限公司 2022-12-27 CN disclosed