SCHEMBL585429

SCHEMBL585429

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

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 4/20 0.48
RIPK1 Q13546 2/20 0.48
AOC3 Q16853 1/20 0.46
TAAR1 Q96RJ0 3/20 0.45
FFAR1 O14842 1/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL4270025 0.85 TAAR1 (0.47) TRPA1RIPK1AOC3TAAR1
SCHEMBL17880780 0.85 TRPA1 (0.46) TRPA1RIPK1AOC3TAAR1FFAR1
SCHEMBL25604264 0.82 KMT2A (0.44) TRPA1RIPK1AOC3TAAR1RAB9A
SCHEMBL17123620 0.81 RIPK1 (0.46) TRPA1RIPK1TAAR1HPGD
SCHEMBL27760120 0.81 EEF2K (0.44) FFAR1
SCHEMBL15006719 0.81 RIPK1 (0.52) RIPK1AOC3RAB9ANPC1
SCHEMBL17721326 0.80 RIPK1 (0.44) TRPA1RIPK1AOC3TAAR1FFAR1
SCHEMBL16523042 0.80 TRPA1 (0.41) TRPA1RIPK1TAAR1HPGD
Acetic Acid SCHEMBL28405440 0.79 RIPK1 (0.47) TRPA1RIPK1AOC3TAAR1FFAR1
SCHEMBL15868611 0.78 MAPT (0.44) RIPK1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2072083-B1 Utilisation of 2.4'-dimethyl-propiophenon as an aroma SYMRISE AG (DE) 2012-02-15 EP claimed
EP-1716159-B1 BICYCLIC SILOXANE COMPOSITIONS FOR THE RELEASE OF ACTIVE INGREDIENTS MOMENTIVE PERFORMANCE MAT INC (US) 2011-07-13 EP claimed
EP-1697386-B1 ACTIVE INGREDIENT-RELEASING CYCLIC SILOXANES GEN ELECTRIC (US) 2007-10-10 EP claimed
EP-2145042-B2 TEXTILE SCENTING HENKEL AG & CO KGAA (DE) 2021-10-06 EP disclosed
US-9926450-B2 Compound having azo skeleton structure, pigment-dispersing agent, pigment composition, pigment dispersion, and toner CANON KABUSHIKI KAISHA (JP) 2018-03-27 US disclosed
EP-2145042-B1 TEXTILE SCENTING HENKEL AG & CO KGAA (DE) 2018-01-17 EP 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-9715187-B2 Method of producing a compound having a colorant structure, and toner containing a compound obtained by the production method CANON KABUSHIKI KAISHA (JP) 2017-07-25 US disclosed
US-9715187-B2 Method of producing a compound having a colorant structure, and toner containing a compound obtained by the production method CANON KABUSHIKI KAISHA (JP) 2017-07-25 US disclosed
US-9625845-B2 Compound having azo skeleton structure, pigment-dispersing agent, pigment composition, pigment dispersion, and toner CANON KABUSHIKI KAISHA (JP) 2017-04-18 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-20160070189-A1 COMPOUND HAVING AZO SKELETON STRUCTURE, PIGMENT-DISPERSING AGENT, PIGMENT COMPOSITION, PIGMENT DISPERSION, AND TONER CANON KABUSHIKI KAISHA (JP) 2016-03-10 US disclosed
US-20150277254-A1 METHOD OF PRODUCING A COMPOUND HAVING A COLORANT STRUCTURE, AND TONER CONTAINING A COMPOUND OBTAINED BY THE PRODUCTION METHOD CANON KABUSHIKI KAISHA (JP) 2015-10-01 US disclosed
EP-2145042-A1 TEXTILE SCENTING Henkel AG & Co. KGaA (DE) 2010-01-20 EP disclosed
WO-2008135306-A1 TEXTILE SCENTING HENKEL AG & CO. KGAA (DE) 2008-11-13 WO disclosed
EP-1928992-A1 CONSUMER PRODUCTS HAVING VARYING ODORS Henkel AG & Co. KGaA (DE) 2008-06-11 EP disclosed
EP-1922398-A1 CONSUMER PRODUCTS HAVING VARYING ODOR PATTERNS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-05-21 EP disclosed
WO-2007028479-A1 CONSUMER PRODUCTS HAVING VARYING ODORS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-03-15 WO disclosed
WO-2007028477-A1 CONSUMER PRODUCTS HAVING VARYING ODOR PATTERNS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-03-15 WO disclosed
US-5034429-A An unsaturated monomer, a photoinitiator and a benzene derivative for providing a cured film HITACHI CHEMICAL CO., LTD. (JP) 1991-07-23 US disclosed