SCHEMBL19601181

SCHEMBL19601181

C=CC(=O)C(C)(CC)OCCC(C)(C)OC(=O)CCC

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
SCHEMBL19601372 0.88 ALDH1A1 (0.30) ALDH1A1
SCHEMBL19601185 0.86 ALDH1A1 (0.32) ALDH1A1
SCHEMBL13264750 0.84 THRB (0.36) ALDH1A1
SCHEMBL19601375 0.81 DGKA (0.39) ALDH1A1
SCHEMBL19601198 0.79 ALDH1A1 (0.39) ALDH1A1
SCHEMBL19601201 0.77
SCHEMBL19478863 0.77 ALDH1A1 (0.40) ALDH1A1
SCHEMBL25767228 0.76 THRB (0.32)
SCHEMBL19478913 0.76 ALDH1A1 (0.39) ALDH1A1
SCHEMBL21424732 0.74 THRB (0.35)

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
WO-2017195428-A1 NOVEL COMPOUND, PHOTOCURABLE COMPOSITION, CURED PRODUCT THEREOF, PRINTING INK, AND PRINTED MATTER USING PRINTING INK DIC株式会社 2017-11-16 WO disclosed