SCHEMBL29002181

SCHEMBL29002181

C[PH](=O)CCCC(=O)NC(C)(N)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
NAALAD2 Q9Y3Q0 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
SCHEMBL11405858 0.76 ALDH1A1 (0.37) ALDH1A1NAALAD2
SCHEMBL1270706 0.76 NAALAD2 (0.38) ALDH1A1NAALAD2
SCHEMBL9859878 0.73 GABBR2 (0.40) ALDH1A1NAALAD2
SCHEMBL349826 0.71 CYP1A2 (0.42) ALDH1A1NAALAD2
SCHEMBL10435578 0.68
SCHEMBL28098101 0.66 TSHR (0.38) ALDH1A1NAALAD2
SCHEMBL28098099 0.66 TSHR (0.38) ALDH1A1NAALAD2
SCHEMBL3498204 0.65 NAALAD2 (0.33) ALDH1A1NAALAD2
SCHEMBL15680104 0.65 ALDH1A1 (0.52) ALDH1A1NAALAD2
SCHEMBL27990856 0.64 SLC22A6 (0.46) ALDH1A1NAALAD2

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-113271777-B Compositions comprising clopyralid and other herbicides and methods thereof 美国陶氏益农公司 2023-05-23 CN disclosed