SCHEMBL17880780

SCHEMBL17880780

CC(CC(C)(C)C(=O)Cl)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 4/20 0.46
RIPK1 Q13546 2/20 0.46
TAAR1 Q96RJ0 3/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
HPGD P15428 2/20 0.39
ALDH1A1 P00352 1/20 0.39
FFAR1 O14842 1/20 0.39
AOC3 Q16853 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL585429 0.85 TRPA1 (0.48) TRPA1RIPK1TAAR1RAB9ANPC1
SCHEMBL4270025 0.82 TAAR1 (0.47) TRPA1RIPK1TAAR1AOC3
SCHEMBL25604264 0.79 KMT2A (0.44) TRPA1RIPK1TAAR1RAB9ANPC1
SCHEMBL17123620 0.78 RIPK1 (0.46) TRPA1RIPK1TAAR1HPGDALDH1A1
SCHEMBL16523042 0.77 TRPA1 (0.41) TRPA1RIPK1TAAR1HPGDALDH1A1
Acetic Acid SCHEMBL28405440 0.76 RIPK1 (0.47) TRPA1RIPK1TAAR1RAB9ANPC1
SCHEMBL22863307 0.75 CYP2C19 (0.47) TRPA1RIPK1TAAR1RAB9ANPC1
SCHEMBL2418232 0.75 RIPK1 (0.53) TRPA1RIPK1TAAR1AOC3
SCHEMBL84330 0.74 TRPA1 (0.39) TRPA1RIPK1RAB9ANPC1HPGD
SCHEMBL5664123 0.74 RIPK1 (0.63) TRPA1RIPK1TAAR1AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9834683-B2 Compound having azo skeleton structure, pigment dispersant, pigment composition, pigment dispersion, and toner CANON KABUSHIKI KAISHA (JP) 2017-12-05 US disclosed
US-9834683-B2 Compound having azo skeleton structure, pigment dispersant, pigment composition, pigment dispersion, and toner CANON KABUSHIKI KAISHA (JP) 2017-12-05 US disclosed
US-9593243-B2 Compound, pigment dispersing agent, pigment composition, pigment dispersion and toner containing said compound CANON KABUSHIKI KAISHA (JP) 2017-03-14 US disclosed
US-20160208105-A1 COMPOUND HAVING AZO SKELETON STRUCTURE, PIGMENT DISPERSANT, PIGMENT COMPOSITION, PIGMENT DISPERSION, AND TONER CANON KABUSHIKI KAISHA (JP) 2016-07-21 US disclosed
US-20160185971-A1 NOVEL COMPOUND, PIGMENT DISPERSING AGENT, PIGMENT COMPOSITION, PIGMENT DISPERSION AND TONER CONTAINING SAID COMPOUND CANON KABUSHIKI KAISHA (JP) 2016-06-30 US disclosed