SCHEMBL28069138

SCHEMBL28069138

CNc1c(C)c(C)c(CN)c(C)c1C

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AOC1 P19801 1/20 0.37
AOC3 Q16853 1/20 0.37

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
SCHEMBL1976327 0.80 AOC3 (0.35) AOC1AOC3
SCHEMBL394690 0.76 AOC3 (0.33) AOC3
Hydrochloric Acid SCHEMBL9542269 0.76 AOC3 (0.37) AOC1AOC3
SCHEMBL681902 0.74 AOC3 (0.32) AOC3
SCHEMBL14135238 0.73 AOC3 (0.35) AOC1AOC3
SCHEMBL4093520 0.73
SCHEMBL125254 0.70 AOC3 (0.33) AOC3
SCHEMBL10014863 0.66
SCHEMBL17998042 0.65
SCHEMBL12345549 0.63 AOC3 (0.34) AOC3

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
CN-106243137-A The double triazole cadmium complex monocrystalline of 1,2,4,5 durols and application 天津师范大学 2016-12-21 CN disclosed
CN-106220655-A The double triazole trimesic acid Zn complex monocrystalline of 1,2,4,5 durols and application 天津师范大学 2016-12-14 CN disclosed
CN-106220658-A The double triazole two dimension cadmium complex monocrystalline of 1,2,4,5 durols and application 天津师范大学 2016-12-14 CN disclosed
CN-105622650-A 1,2,4,5-tetramethyl benzene bistriazole two-dimensional zinc complex single crystal and application thereof UNIV TIANJIN 2016-06-01 CN disclosed