SCHEMBL4577947

SCHEMBL4577947

O=[N+]([O-])c1[c]c(Br)cc(OC(F)(F)C(F)C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL1360496 0.82 ALDH1A1 (0.45) ALDH1A1TSHRHSD17B10
SCHEMBL1360413 0.76 ALDH1A1 (0.41) ALDH1A1TSHRHSD17B10
SCHEMBL4580107 0.75 ALDH1A1 (0.40) ALDH1A1TSHRHSD17B10
SCHEMBL1360550 0.75 ALDH1A1 (0.40) ALDH1A1TSHRHSD17B10
SCHEMBL1360933 0.70 HSD17B10 (0.55) ALDH1A1TSHRHSD17B10
SCHEMBL1361401 0.69 TRPV1 (0.37) ALDH1A1TSHRHSD17B10
SCHEMBL971971 0.69 ALDH1A1 (0.45) ALDH1A1TSHR
SCHEMBL1362489 0.69 ALDH1A1 (0.45) ALDH1A1TSHRHSD17B10
SCHEMBL10590859 0.68 TDP1 (0.46) ALDH1A1TSHRHSD17B10
SCHEMBL1361037 0.67 ALDH1A1 (0.44) ALDH1A1TSHRHSD17B10

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-1911751-A1 AMIDE DERIVATIVE AND PESTICIDE CONTAINING SUCH COMPOUND Mitsui Chemicals, Inc. (JP) 2008-04-16 EP disclosed