SCHEMBL6851280

SCHEMBL6851280

CCOC(=O)C(CC(Br)CC(F)(F)Cl)C(=O)OCC

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ALDH1A1 P00352 2/20 0.31
TRPA1 O75762 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
SCHEMBL19198716 0.76 ALDH1A1 (0.39) SMN1; SMN2HSD17B10ALDH1A1TRPA1
SCHEMBL9493851 0.73 ALDH1A1 (0.36) MAPTHTTSMN1; SMN2HSD17B10ALDH1A1
SCHEMBL9365658 0.72 ALDH1A1 (0.34) MAPTHTTSMN1; SMN2HSD17B10ALDH1A1
SCHEMBL4613459 0.71 ALDH1A1 (0.50) HSD17B10ALDH1A1TRPA1
SCHEMBL6848284 0.70 TDP1 (0.45) MAPTALDH1A1
SCHEMBL20473354 0.70 ALDH1A1 (0.40) HTTHSD17B10ALDH1A1TRPA1
SCHEMBL8164787 0.69 ALDH1A1 (0.36) MAPTHSD17B10ALDH1A1
SCHEMBL30411265 0.69 ALDH1A1 (0.48) HSD17B10ALDH1A1TRPA1
SCHEMBL25376940 0.69 ALDH1A1 (0.39) HSD17B10ALDH1A1TRPA1
SCHEMBL25415857 0.68 ALDH1A1 (0.42) HSD17B10ALDH1A1TRPA1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0661289-B1 Vinyl carboxamide derivatives as insecticides and acaricides SYNGENTA PARTICIPATIONS AG (CH) 2004-03-03 EP disclosed
US-5763481-A PESTICIDES; INSECTICIDES, MITICIDES NOVARTIS CORPROATION (US) 1998-06-09 US disclosed
US-5545630-A PESTICIDES CIBA-GEIGY CORPORATION (US) 1996-08-13 US disclosed
EP-0661289-A1 Vinyl carboxamide derivatives as insecticides and acaricides CIBA-GEIGY AG (CH) 1995-07-05 EP disclosed