SCHEMBL28296427

SCHEMBL28296427

C=CC(=O)OC1(C(CCC)C(C)C)CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL4399259 0.79 TSHR (0.37) TSHRHPGD
SCHEMBL684980 0.78 TSHR (0.37) TSHR
SCHEMBL684954 0.78 TSHR (0.37) TSHR
SCHEMBL686092 0.78 TSHR (0.37) TSHR
SCHEMBL4399278 0.77 TSHR (0.38) TSHRHPGD
SCHEMBL263898 0.76 TSHR (0.38) TSHR
SCHEMBL21033186 0.71 TSHR (0.35) TSHR
SCHEMBL28864009 0.69 TSHR (0.43) TSHRHPGD
SCHEMBL1397188 0.69 TSHR (0.38) TSHRHPGD
SCHEMBL5154743 0.69 TSHR (0.38) TSHRHPGD

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-109879756-A The preparation method of 1- isopropylcyclohexyl (methyl) acrylate 江苏南大光电材料股份有限公司 2019-06-14 CN disclosed