SCHEMBL677614

SCHEMBL677614

Cc1c(S(C)(=O)=O)ccc(C(=O)C2C(=O)CCCC2=O)c1Cl

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HPD P32754 1/20 0.36
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
SCHEMBL29270869 0.90 HPD (0.33) HPD
SCHEMBL9134805 0.89 HPD (0.37) HPD
SCHEMBL14668722 0.86 HPD (0.34) HPD
SCHEMBL8162960 0.85 LMNA (0.38)
SCHEMBL8588046 0.83 HPD (0.34) HPD
SCHEMBL9651878 0.83 F10 (0.31)
SCHEMBL5639574 0.82 HPD (0.36) HPDALDH1A1
SCHEMBL12269385 0.82 ALDH1A1 (0.33) HPDALDH1A1
SCHEMBL9658540 0.81 SLC6A3 (0.35) HPDALDH1A1
SCHEMBL8092645 0.80 ALDH1A1 (0.44) 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
US-8053393-B2 Aqueous herbicidal composition based on a suspension concentrate comprising herbicides and safeners BAYER CROPSCIENCE AG (DE) 2011-11-08 US disclosed