SCHEMBL3687404

SCHEMBL3687404

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

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
MAPK1 P28482 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL10835137 0.88 ALDH1A1 (0.33) ALDH1A1MAPK1TDP1
SCHEMBL10100003 0.88
SCHEMBL270894 0.88
SCHEMBL3122429 0.81 ALDH1A1 (0.38) ALDH1A1MAPK1TDP1
SCHEMBL14428810 0.78 ALDH1A1 (0.33) ALDH1A1MAPK1TDP1
SCHEMBL23737642 0.74
SCHEMBL1262475 0.72
SCHEMBL1787464 0.72
SCHEMBL11767981 0.72
SCHEMBL10835140 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2872467-B1 ISONONYLAMINES FROM 2-ETHYLHEXANOL, PROCESSES FOR THEIR PREPARATION OXEA GMBH (DE) 2018-01-03 EP disclosed
EP-2872465-B1 Process for the preparation of carboxylic acid esters of a mixture of structually branched C9-monocarboxylic acids starting from 2-ethylhexanol, carboxylic acid esters of triethylene glycol, neopentyl glycol and 1,3-butanediol of this mixture as well as their use OXEA GMBH (DE) 2017-12-20 EP disclosed
EP-2872466-B1 METHOD FOR PRODUCING ISONONANOIC ACIDS FROM 2-ETHYL HEXANOL OXEA GMBH (DE) 2017-11-01 EP disclosed
US-9714201-B2 Isononylamines from 2-ethylhexanol, processes for their preparation, and their use OXEA GMBH (DE) 2017-07-25 US disclosed
EP-2872478-B1 VINYL ESTERS OF ISONONANOIC ACID STARTING FROM 2-ETHYL HEXANOL, METHODS FOR THE PRODUCTION THEREOF AND USE THEREOF OXEA GMBH (DE) 2016-12-07 EP disclosed
US-9434672-B2 Method for producing isononanoic acids from 2-ethyl hexanol OXEA GMBH (DE) 2016-09-06 US disclosed
US-9434675-B2 Method for producing isononanoic acid esters, starting from 2-ethyl hexanol OXGA GMBH (DE) 2016-09-06 US disclosed
CN-104395264-B Different nonyl amine, the Its Preparation Method And Use prepared by 2-Ethylhexyl Alcohol OXEA GMBH (DE) 2016-05-25 CN disclosed
US-9334225-B2 Vinyl esters of isononanoic acid starting from 2-ethyl hexanol, methods for the production thereof and use thereof OXEA GMBH (DE) 2016-05-10 US disclosed
US-9315694-B2 Vinyl acetate/vinyl 3,5,5-trimethylhexanoate copolymer binder resins OXEA GMBH (DE) 2016-04-19 US disclosed
EP-1657230-B1 Process for the preparation of aliphatic linear and ß-alkyl-branched carboxylic acids OXEA DEUTSCHLAND GMBH (DE) 2009-03-25 EP disclosed
US-20070265467-A1 Catalytic process for preparing aliphatic straight-chain and beta-alkyl-branched carboxylic acids OXEA DEUTSCHLAND GMBH 2007-11-15 US disclosed
EP-1854778-A1 Catalytic method for manufacturing aliphatic straight chain and beta-alkyl branched carboxylic acid OXEA Deutschland GmbH (DE) 2007-11-14 EP disclosed
US-7186782-B2 Hydrogenation catalyst composition and process for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2007-03-06 US disclosed
US-7138544-B2 Process for preparing aliphatic straight-chain and beta-alkyl-branched carboxylic acids CELANESE CHEMICALS EUROPE GMBH (DE) 2006-11-21 US disclosed
US-20060106249-A1 Process for preparing aliphatic straight-chain and beta-alkyl-branched carboxylic acids CELANESE CHEMICALS EUROPE GMBH 2006-05-18 US disclosed
EP-1657230-A1 Process for the preparation of aliphatic linear and ß-alkyl-branched carboxylic acids Celanese Chemicals Europe GmbH (DE) 2006-05-17 EP disclosed
US-20060041079-A1 Hydrogenation catalyst composition and process for hydrogenation of conjugated diene polymer TSRC CORPORATION 2006-02-23 US disclosed
US-6881797-B2 Process for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2005-04-19 US disclosed
US-20040082727-A1 Process for hydrogenation of conjugated diene polymer TSRC CORPORATION (CN) 2004-04-29 US disclosed