SCHEMBL28522185

SCHEMBL28522185

CC=C(C)C(=O)O.O=C=NC1CCCCO1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
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
SCHEMBL1779496 0.80
SCHEMBL12274071 0.75
SCHEMBL28573942 0.74 ALDH1A1 (0.42) ALDH1A1
Acrylic Acid Methyl Ester SCHEMBL28516280 0.74 SLC6A3 (0.31)
Tetrahydrofuran SCHEMBL20843627 0.67 ALDH1A1 (0.38) ALDH1A1
SCHEMBL28043823 0.67 ALDH1A1 (0.38) ALDH1A1
SCHEMBL2319055 0.67 ALDH1A1 (0.32) ALDH1A1
SCHEMBL18269630 0.66 ALDH1A1 (0.33) ALDH1A1
SCHEMBL216309 0.66 ALDH1A1 (0.33) ALDH1A1
SCHEMBL216308 0.66 ALDH1A1 (0.33) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109796580-B Macromonomer having tetrahydropyran structure, method for producing the same, method for producing polymer polyol from the macromonomer, and polymer polyol 万华化学集团股份有限公司 2021-04-20 CN disclosed
CN-109810086-B Isocyanate with unsaturated group and preparation method and application thereof 万华化学集团股份有限公司 2021-02-02 CN disclosed