SCHEMBL482698

SCHEMBL482698

CC(C)C(=O)O.CC(C)C(=O)O.CC(C)CC(C)(C)C(O)O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.38
CYP2C19 P33261 2/20 0.33
RNPEP Q9H4A4 1/20 0.33
SLC7A5 Q01650 1/20 0.33
MMP8 P22894 1/20 0.32
GRM2 Q14416 1/20 0.31
GRM3 Q14832 1/20 0.31
TRPA1 O75762 1/20 0.31
CYP2D6 P10635 1/20 0.30

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
SCHEMBL308149 1.00 TP53 (0.38) TP53CYP2C19RNPEPSLC7A5MMP8
SCHEMBL500636 0.85 TRPA1 (0.32) CYP2C19TRPA1
Methacrylic Acid SCHEMBL8956104 0.81 TSHR (0.35) CYP2C19
Butyric Acid SCHEMBL6858221 0.79 FFAR3 (0.50)
Acetoacetic Acid SCHEMBL28678053 0.79 ALDH1A1 (0.33) CYP2C19MMP8CYP2D6
SCHEMBL28253490 0.78 RNPEP (0.37) TP53CYP2C19RNPEPSLC7A5MMP8
SCHEMBL6139393 0.78 RNPEP (0.37) TP53CYP2C19RNPEPSLC7A5MMP8
Benzoic Acid SCHEMBL5147655 0.75 DAO (0.48) TRPA1
SCHEMBL23768846 0.73 SLC7A5 (0.33) TP53CYP2C19RNPEPSLC7A5MMP8
SCHEMBL29188160 0.73 TP53 (0.38) TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7638568-B2 Use of isononyl benzoate as a film-forming agent OXENO OLEFINCHEMIE GMBH (DE) 2009-12-29 US claimed
EP-1664177-B1 USE OF ISONONYL BENZOATE AS A FILM-FORMING AGENT OXENO OLEFINCHEMIE GMBH (DE) 2007-06-13 EP claimed
US-20070010599-A1 Use of isononyl benzoate as a film-forming agent OXENO OLEFINCHEMIE GMBH (DE) 2007-01-11 US claimed
EP-1664177-A1 USE OF ISONONYL BENZOATE AS A FILM-FORMING AGENT Oxeno Olefinchemie GmbH (DE) 2006-06-07 EP claimed
EP-1294807-B1 THICKENABLE VINYL ESTER RESIN COMPOSITIONS SIMEX TECHNOLOGIES INC (CA) 2005-11-16 EP claimed
WO-2005026249-A1 USE OF ISONONYL BENZOATE AS A FILM-FORMING AGENT OXENO OLEFINCHEMIE GMBH (DE) 2005-03-24 WO claimed
EP-1294807-A1 THICKENABLE VINYL ESTER RESIN COMPOSITIONS Simex Technologies Inc (CA) 2003-03-26 EP claimed
US-6436856-B1 Thickenable vinyl ester resin compositions SIMEX TECHNOLOGIES, INC. (CA) 2002-08-20 US claimed
WO-2001096473-A1 THICKENABLE VINYL ESTER RESIN COMPOSITIONS SIMEX TECHNOLOGIES INC. (CA) 2001-12-20 WO claimed
EP-0958390-A4 IMPROVEMENT IN THE PROCESS OF RECOVERY OF METALS HENKEL CORP (US) 2000-03-08 EP claimed
EP-0958390-A1 IMPROVEMENT IN THE PROCESS OF RECOVERY OF METALS HENKEL CORPORATION (US) 1999-11-24 EP claimed
WO-1998028454-A1 IMPROVEMENT IN THE PROCESS OF RECOVERY OF METALS HENKEL CORPORATION (US) 1998-07-02 WO claimed
EP-3807229-B1 PROCESS FOR THE PRODUCTION OF COMPOSITE ARTICLES NOURYON CHEMICALS INT BV (NL) 2025-10-22 EP disclosed
US-12215074-B2 Process for the production of peroxyesters NOURYON CHEMICALS INTERNATIONAL B.V. (NL) 2025-02-04 US disclosed
US-12209065-B2 Process for the production of diacyl peroxides NOURYON CHEMICALS INTERNATIONAL B.V. (NL) 2025-01-28 US disclosed
US-20250010656-A1 Digital Embossing of Decorative Surface Coverings TARKETT GDL (LU) 2025-01-09 US disclosed
US-6436856-B1 Thickenable vinyl ester resin compositions SIMEX TECHNOLOGIES, INC. (CA) 2002-08-20 US disclosed
WO-2001096473-A1 THICKENABLE VINYL ESTER RESIN COMPOSITIONS SIMEX TECHNOLOGIES INC. (CA) 2001-12-20 WO disclosed
US-4335013-A COMPRISING A BLEND OF AN AROMATIC HYDROCARBON AND A DIESTER MONSANTO COMPANY (US) 1982-06-15 US disclosed
EP-0024898-A2 Solvents, solutions, and pressure-sensitive mark-recording systems MONSANTO EUROPE S.A./N.V. (BE) 1981-03-11 EP disclosed