SCHEMBL20076865

SCHEMBL20076865

Nc1ccc(F)c(CCC(F)(F)F)c1F

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL15380280 0.75 ALDH1A1 (0.33) ALDH1A1
SCHEMBL3024241 0.70 ALDH1A1 (0.36) ALDH1A1
SCHEMBL634584 0.70 ALDH1A1 (0.36) ALDH1A1
SCHEMBL21684871 0.67 ALDH1A1 (0.43) ALDH1A1
SCHEMBL9747444 0.66 ALDH1A1 (0.36) ALDH1A1
SCHEMBL20050366 0.65 CFTR (0.43) ALDH1A1
SCHEMBL28135375 0.65 PTGS1 (0.37)
SCHEMBL112835 0.65 ALDH1A1 (0.43) ALDH1A1
SCHEMBL7245085 0.64 CA2 (0.36) ALDH1A1
SCHEMBL30739832 0.64 AKR1B1 (0.39) 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-2018071327-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2018-04-19 WO disclosed