SCHEMBL7791094

SCHEMBL7791094

O=C=NCCCCC1CCCC(CN=C=O)C1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 2/20 0.33
NFE2L2 Q16236 2/20 0.33

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
SCHEMBL628275 0.93 KEAP1 (0.33) KEAP1NFE2L2
SCHEMBL4900668 0.91 KEAP1 (0.35) KEAP1NFE2L2
SCHEMBL7789791 0.90 KEAP1 (0.31) KEAP1NFE2L2
SCHEMBL503215 0.88 KEAP1 (0.30) KEAP1NFE2L2
SCHEMBL3794195 0.86
SCHEMBL20462167 0.84 ALDH1A1 (0.31)
SCHEMBL1069199 0.84 ALDH1A1 (0.31)
SCHEMBL1081630 0.84 ALDH1A1 (0.31)
SCHEMBL43488 0.84 ALDH1A1 (0.31)
SCHEMBL1069198 0.84 ALDH1A1 (0.31)

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-0458333-B2 Polyisocyanato-isocyanurate, and preparation process and use of the same MITSUI TOATSU CHEMICALS (JP) 2001-11-07 EP disclosed
EP-0458333-B1 Polyisocyanato-isocyanurate, and preparation process and use of the same MITSUI TOATSU CHEMICALS (JP) 1996-01-24 EP disclosed
US-5159045-A Curing agent for non-yellowing paint MITSUI TOATSU CHEMICALS, INC. (JP) 1992-10-27 US disclosed
EP-0458333-A2 Polyisocyanato-isocyanurate, and preparation process and use of the same MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-11-27 EP disclosed