SCHEMBL28965784

SCHEMBL28965784

CN(C)C=C(C(=O)O)C(=O)C(=O)O

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
TSHR P16473 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
SCHEMBL21464137 1.00 ALDH1A1 (0.30) ALDH1A1TSHR
SCHEMBL20487873 0.86 TSHR (0.35) ALDH1A1TSHR
SCHEMBL25333487 0.80
SCHEMBL4878121 0.79 L3MBTL1 (0.32) ALDH1A1TSHR
SCHEMBL5014116 0.79 L3MBTL1 (0.32) ALDH1A1TSHR
SCHEMBL4878126 0.79 L3MBTL1 (0.32) ALDH1A1TSHR
SCHEMBL23574163 0.77
SCHEMBL28587890 0.77
SCHEMBL1587074 0.73
SCHEMBL3355714 0.73 FFAR3 (0.33)

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-114644565-A Synthesis method of key intermediate of imidazolone compound 江苏中旗科技股份有限公司 2022-06-21 CN disclosed