SCHEMBL21723115

SCHEMBL21723115

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

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL21723113 1.00 ALDH1A1 (0.33) ALDH1A1
SCHEMBL20589379 0.90
SCHEMBL2698556 0.78 ALDH1A1 (0.52) ALDH1A1
SCHEMBL17540715 0.78 ALDH1A1 (0.52) ALDH1A1
SCHEMBL2698550 0.78 ALDH1A1 (0.52) ALDH1A1
SCHEMBL17540714 0.78 ALDH1A1 (0.52) ALDH1A1
SCHEMBL17950790 0.78 ALDH1A1 (0.52) ALDH1A1
SCHEMBL17787398 0.78 CNR2 (0.38) ALDH1A1
SCHEMBL27912109 0.78 ALDH1A1 (0.52) ALDH1A1
SCHEMBL870733 0.77 ALDH1A1 (0.38) 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
WO-2020035565-A1 PESTICIDALLY-ACTIVE MESOIONIC BICYCLIC HETEROAROMATIC COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-02-20 WO disclosed