SCHEMBL2365091

SCHEMBL2365091

C=CCC(CC=C)(CC=C)NCCCCCCCCCCCC

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.43
ZDHHC20 Q5W0Z9 1/20 0.41
ZDHHC2 Q9UIJ5 1/20 0.41
EPHX1 P07099 9/20 0.40
ADH1B P00325 2/20 0.40
ADH1C P00326 2/20 0.40
ADH1A P07327 2/20 0.40
ADH7 P40394 2/20 0.40
ADH4 P08319 1/20 0.40
ALDH1A1 P00352 2/20 0.37
FAAH O00519 1/20 0.35
THRB P10828 1/20 0.33
PPARA Q07869 2/20 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
Cyanide SCHEMBL11573057 0.94 TSHR (0.39) TSHRZDHHC20ZDHHC2EPHX1ADH1B
SCHEMBL9210365 0.82 TSHR (0.41) TSHRZDHHC20ZDHHC2EPHX1ADH1B
SCHEMBL28852630 0.75 EPHX1 (0.48) TSHREPHX1ADH1BADH1CADH1A
SCHEMBL22939485 0.74 ZDHHC20 (0.44) TSHRZDHHC20ZDHHC2EPHX1ADH1B
SCHEMBL28336032 0.74 ZDHHC20 (0.44) TSHRZDHHC20ZDHHC2EPHX1ADH1B
SCHEMBL2863417 0.73 EPHX1 (0.46) TSHREPHX1ADH1BADH1CADH1A
SCHEMBL10593520 0.73 EPHX1 (0.46) TSHREPHX1ADH1BADH1CADH1A
Bromide SCHEMBL28843792 0.72 ZDHHC20 (0.42) TSHRZDHHC20ZDHHC2EPHX1ADH1B
Bromide SCHEMBL28890954 0.72 ZDHHC20 (0.42) TSHRZDHHC20ZDHHC2EPHX1ADH1B
Hydrochloric Acid SCHEMBL29161815 0.72 ZDHHC20 (0.42) TSHRZDHHC20ZDHHC2EPHX1ADH1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2398757-A1 METHOD FOR PRODUCING A FREE ACID FROM THE SALT THEREOF Evonik Degussa GmbH (DE) 2011-12-28 EP claimed
WO-2010094554-A1 METHOD FOR PRODUCING A FREE ACID FROM THE SALT THEREOF EVONIK DEGUSSA GMBH (DE) 2010-08-26 WO claimed
US-5431892-A Process for recovering valuable metal from waste catalyst SUMITOMO METAL MINING CO., LTD. (JP) 1995-07-11 US claimed
US-5023059-A Digestion with hydrofluoric acid, scurrying, seperation, extraction, ion exchanging CABOT CORPORATION, A CORP. OF DE 1991-06-11 US claimed
EP-2294206-B1 Method for the production of free alpha- or beta-hydroxycarboxylic acids EVONIK ROEHM GMBH (DE) 2015-06-03 EP disclosed
US-8703451-B2 Method for the production of free carboxylic acids EVONIK ROEHM GMBH (DE) 2014-04-22 US disclosed
EP-2398757-A1 METHOD FOR PRODUCING A FREE ACID FROM THE SALT THEREOF Evonik Degussa GmbH (DE) 2011-12-28 EP disclosed
US-20110189742-A1 METHOD FOR THE PRODUCTION OF FREE CARBOXYLIC ACIDS EVONIK ROEHM GMBH (DE) 2011-08-04 US disclosed
WO-2010094554-A1 METHOD FOR PRODUCING A FREE ACID FROM THE SALT THEREOF EVONIK DEGUSSA GMBH (DE) 2010-08-26 WO disclosed
US-5431892-A Process for recovering valuable metal from waste catalyst SUMITOMO METAL MINING CO., LTD. (JP) 1995-07-11 US disclosed
US-5023059-A Digestion with hydrofluoric acid, scurrying, seperation, extraction, ion exchanging CABOT CORPORATION, A CORP. OF DE 1991-06-11 US disclosed
US-4877579-A SOLVENT EXTRACTION WITH AN OIL-SOLUBLE AMINE FUJI PHOTO FILM CO., LTD. (JP) 1989-10-31 US disclosed
US-4612290-A EXTRACTION WITH AMINE, PHOTOMETRY FUJI PHOTO FILM CO., LTD. (JP) 1986-09-16 US disclosed
US-4486291-A DURABILITY FRESENIUS AG (DE) 1984-12-04 US disclosed
US-4353784-A FROM AQUEOUS SOLUTION BY EXTRACTION WITH HIGH BOILING SOLVENT, DEHYDRATION, VACUUM DISTILLATION DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1982-10-12 US disclosed
US-3991165-A Process for the purification of phosphoric acid using amines OCCIDENTAL PETROLEUM CORPORATION (US) 1976-11-09 US disclosed