SCHEMBL28186361

SCHEMBL28186361

C=C(CCC(C)OC)C(=O)OC.[CH3]

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
TSHR P16473 2/20 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
SCHEMBL27968281 0.98 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL650739 0.82 CA1 (0.43) ALDH1A1TSHR
SCHEMBL28000464 0.81 ALDH1A1 (0.34) ALDH1A1
SCHEMBL2112599 0.80 ALDH1A1 (0.33) ALDH1A1
SCHEMBL338900 0.80 TET2 (0.34)
SCHEMBL21497258 0.80 ALDH1A1 (0.45) ALDH1A1TSHR
SCHEMBL28087396 0.78 ALDH1A1 (0.38) ALDH1A1TSHR
SCHEMBL28260949 0.78 ALDH1A1 (0.41) ALDH1A1TSHR
SCHEMBL8431976 0.77 CYP1A2 (0.52) ALDH1A1
SCHEMBL8436891 0.77 ALDH1A1 (0.37) ALDH1A1TSHR

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-107429113-A Coating agent, coating film, laminate, and surface-protective article 捷恩智株式会社 2017-12-01 CN disclosed