SCHEMBL28028504

SCHEMBL28028504

C=C(C(=O)OC)C1CCCC2CCCCC21

nearest known ligand 0.40

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL29117682 0.93 ALDH1A1 (0.33) ALDH1A1
SCHEMBL3000349 0.78 CHRM2 (0.43)
SCHEMBL5015479 0.78
SCHEMBL29117875 0.77 TSHR (0.43) ALDH1A1
SCHEMBL27695287 0.77 EPHX1 (0.48) ALDH1A1
SCHEMBL28071488 0.77 ALDH1A1 (0.41) ALDH1A1
SCHEMBL27169404 0.77 ALDH1A1 (0.41) ALDH1A1
SCHEMBL13688364 0.76 ALDH1A1 (0.39) ALDH1A1
SCHEMBL13688357 0.76 ALDH1A1 (0.39) ALDH1A1
SCHEMBL29117712 0.74 ALDH1A1 (0.35) 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-104812790-A Organopolysiloxane graft polymer KAO CORP 2015-07-29 CN disclosed