SCHEMBL28281182

SCHEMBL28281182

CCC(C)(C)CC(C)=CC=O

nearest known ligand 0.39

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL1782976 0.80 ALDH1A1 (0.38) ALDH1A1
SCHEMBL1782975 0.80 ALDH1A1 (0.38) ALDH1A1
SCHEMBL9609531 0.78 ALDH1A1 (0.43) ALDH1A1
SCHEMBL1784089 0.76 ALDH1A1 (0.41) ALDH1A1
SCHEMBL1784091 0.76 ALDH1A1 (0.41) ALDH1A1
SCHEMBL8533403 0.75 TSHR (0.30)
SCHEMBL8533405 0.75 TSHR (0.30)
SCHEMBL26336434 0.75 TSHR (0.30)
SCHEMBL1784954 0.75 ALDH1A1 (0.34) ALDH1A1
SCHEMBL1784953 0.75 ALDH1A1 (0.34) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109415819-A For removing the composition of iron sulfide 株式会社可乐丽 2019-03-01 CN disclosed