SCHEMBL9569276

SCHEMBL9569276

CC(=O)CC(C(=O)O)C(=O)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CPA1 P15085 1/20 0.31

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
SCHEMBL5272523 0.81 TDP1 (0.42) ALDH1A1TDP1CPA1
SCHEMBL26968664 0.78 ALDH1A1 (0.36) ALDH1A1
SCHEMBL5755181 0.78 ALDH1A1 (0.37) ALDH1A1TDP1
SCHEMBL2010639 0.77 TDP1 (0.53) ALDH1A1TDP1
SCHEMBL166047 0.76 MAPT (0.35) TDP1
SCHEMBL6874101 0.74 KDM4E (0.35) ALDH1A1TDP1
SCHEMBL499963 0.73 CHRM1 (0.46) TDP1
SCHEMBL20680192 0.73 RNPEP (0.43) ALDH1A1CPA1
SCHEMBL11309347 0.72 TDP1 (0.48) ALDH1A1TDP1
SCHEMBL27687802 0.70 ALDH1A1 (0.40) ALDH1A1TDP1

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
EP-0555153-A1 Pyrethrinoide esters, derivatives of furan- or thiophenalcohol, process for their preparation and application thereof as pesticides ROUSSEL UCLAF (FR) 1993-08-11 EP disclosed