SCHEMBL2272181

SCHEMBL2272181

CCC=C(C)S

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL13351086 1.00
SCHEMBL5990885 0.77
SCHEMBL15833160 0.76
SCHEMBL16140963 0.73
SCHEMBL3415685 0.73
SCHEMBL23654235 0.72
SCHEMBL738594 0.71
SCHEMBL21427696 0.69 ALDH1A1 (0.31)
SCHEMBL1352562 0.69 ALDH1A1 (0.31)
SCHEMBL403101 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106501419-B Oxidized form quantitative detecting method synchronous with reduced form glucorphanin in Turnip extractive 临沂大学 2019-04-26 CN disclosed
EP-1678290-B1 BEVERAGES AND FOODSTUFFS RESISTANT TO LIGHT INDUCED FLAVOUR CHANGES, PROCESSES FOR MAKING THE SAME, AND COMPOSITIONS FOR IMPARTING SUCH RESISTANCE HEINEKEN SUPPLY CHAIN BV (NL) 2017-09-06 EP disclosed
US-9554592-B2 Beverages and foodstuffs resistant to light induced flavour changes, processes for making the same, and compositions for imparting such resistance HEINEKEN SUPPLY CHAIN B.V. (NL) 2017-01-31 US disclosed
EP-2650281-B1 PROCESS FOR PREPARING CYCLIC AMINE COMPOUNDS KANEKA CORP (JP) 2016-07-13 EP disclosed
US-9096523-B2 Process for preparing cyclic amine compounds KANEKA CORPORATION (JP) 2015-08-04 US disclosed
US-20130303771-A1 PROCESS FOR PREPARING CYCLIC AMINE COMPOUNDS KANEKA CORPORATION (JP) 2013-11-14 US disclosed
EP-2650281-A1 PROCESS FOR PREPARING CYCLIC AMINE COMPOUNDS KANEKA CORPORATION (JP) 2013-10-16 EP disclosed
US-8445050-B2 Beverages and foodstuffs resistant to light induced flavor changes, processes for making the same, and compositions for imparting such resistance HEINEKEN SUPPLY CHAIN B.V. (NL) 2013-05-21 US disclosed
EP-1865796-B1 BEVERAGES AND FOODSTUFFS RESISTANT TO LIGHT INDUCED FLAVOUR CHANGES, PROCESSES FOR MAKING THE SAME, AND COMPOSITIONS FOR IMPARTING SUCH RESISTANCE HEINEKEN SUPPLY CHAIN BV (NL) 2012-06-20 EP disclosed
US-7989014-B2 Beverages and foodstuffs resistant to light induced flavour changes, processes for making the same, and compositions for imparting such resistance HEINEKEN SUPPLY CHAIN B.V. (NL) 2011-08-02 US disclosed
WO-1999005130-A1 SUBSTITUTED 3-PHENYL ISOXAZOLINES BASF AKTIENGESELLSCHAFT (DE) 1999-02-04 WO disclosed
EP-0891336-A1 SUBSTITUTED 1-METHYL-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1999-01-20 EP disclosed
WO-1998042682-A1 NOVEL 1-AMINO-3 BENZYL URACILS BASF AKTIENGESELLSCHAFT (DE) 1998-10-01 WO disclosed
CN-1189824-A 1-amino-3-benzyluracils BASF AG (DE) 1998-08-05 CN disclosed
EP-0835248-A1 1-AMINO-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1998-04-15 EP disclosed
WO-1997035845-A1 SUBSTITUTED 1-METHYL-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1997-10-02 WO disclosed
WO-1997001543-A1 1-AMINO-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1997-01-16 WO disclosed
US-5416068-A Alpha-phenylacrylic acid derivatives, their preparation and their use for controlling pests and harmful fungi BASF AKTIENGESELLSCHAFT (DE) 1995-05-16 US disclosed
US-5298527-A Insecticides BASF AKTIENGESELLSCHAFT (DE) 1994-03-29 US disclosed
EP-0108846-A1 Method for controlling light struck flavor in beverages ANHEUSER-BUSCH COMPANIES, INC. (US) 1984-05-23 EP disclosed