SCHEMBL9932119

SCHEMBL9932119

CC(C)C(=O)C(C)(C)C(=O)OCC(C)(C)C(O)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.32

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
SCHEMBL9559657 0.80 TRPA1 (0.34) TRPA1
SCHEMBL56321 0.80 TRPA1 (0.36) TRPA1
SCHEMBL15412274 0.77 TRPA1 (0.37) TRPA1
SCHEMBL1665854 0.76 TRPA1 (0.40) TRPA1
SCHEMBL783208 0.76 TRPA1 (0.36) TRPA1
SCHEMBL28229215 0.75 TRPA1 (0.37) TRPA1
Ethylene Glycol SCHEMBL28328525 0.75 TRPA1 (0.33) TRPA1
SCHEMBL9931933 0.75 PRKCA (0.30)
SCHEMBL18918974 0.75 TRPA1 (0.31) TRPA1
SCHEMBL9443286 0.74 ALDH1A1 (0.35) TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2652050-B1 WATERBORNE COATING COMPOSITIONS THAT INCLUDE 2,2,4-TRIMETHYL-3-OXOPENTANOATE ESTERS AS REACTIVE COALESCENTS EASTMAN CHEM CO (US) 2018-10-17 EP claimed
CN-103237851-B Including 2,2,4 trimethyl 3 oxopentanoic acid esters as the water-based paint compositions of coalescence reactive agent 伊士曼化工公司 2016-12-21 CN claimed
US-9029451-B2 Waterborne coating compositions that include 2,2,4-trimethyl-3-oxopentanoate esters as reactive coalescents EASTMAN CHEMICAL COMPANY (US) 2015-05-12 US claimed
EP-2652050-A1 WATERBORNE COATING COMPOSITIONS THAT INCLUDE 2,2,4-TRIMETHYL-3-OXOPENTANOATE ESTERS AS REACTIVE COALESCENTS Eastman Chemical Company (US) 2013-10-23 EP claimed
US-20120157614-A1 WATERBORNE COATING COMPOSITIONS THAT INCLUDE 2,2,4-TRIMETHYL-3-OXOPENTANOATE ESTERS AS REACTIVE COALESCENTS EASTMAN CHEMICAL COMPANY (US) 2012-06-21 US claimed
WO-2012082512-A1 WATERBORNE COATING COMPOSITIONS THAT INCLUDE 2,2,4-TRIMETHYL-3-OXOPENTANOATE ESTERS AS REACTIVE COALESCENTS EASTMAN CHEMICAL COMPANY (US) 2012-06-21 WO claimed
EP-2652050-B1 WATERBORNE COATING COMPOSITIONS THAT INCLUDE 2,2,4-TRIMETHYL-3-OXOPENTANOATE ESTERS AS REACTIVE COALESCENTS EASTMAN CHEM CO (US) 2018-10-17 EP disclosed
US-9029451-B2 Waterborne coating compositions that include 2,2,4-trimethyl-3-oxopentanoate esters as reactive coalescents EASTMAN CHEMICAL COMPANY (US) 2015-05-12 US disclosed
EP-2652050-A1 WATERBORNE COATING COMPOSITIONS THAT INCLUDE 2,2,4-TRIMETHYL-3-OXOPENTANOATE ESTERS AS REACTIVE COALESCENTS Eastman Chemical Company (US) 2013-10-23 EP disclosed
US-20120157614-A1 WATERBORNE COATING COMPOSITIONS THAT INCLUDE 2,2,4-TRIMETHYL-3-OXOPENTANOATE ESTERS AS REACTIVE COALESCENTS EASTMAN CHEMICAL COMPANY (US) 2012-06-21 US disclosed
WO-2012082512-A1 WATERBORNE COATING COMPOSITIONS THAT INCLUDE 2,2,4-TRIMETHYL-3-OXOPENTANOATE ESTERS AS REACTIVE COALESCENTS EASTMAN CHEMICAL COMPANY (US) 2012-06-21 WO disclosed