SCHEMBL711907

SCHEMBL711907

CC(C)CC#CO

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
SCHEMBL4595691 0.72 TRPA1 (0.32)
SCHEMBL6687591 0.71
SCHEMBL6301594 0.69
SCHEMBL1760715 0.69
SCHEMBL8648860 0.69
SCHEMBL19897840 0.69 TSHR (0.30)
SCHEMBL21846944 0.67
SCHEMBL10405924 0.67
SCHEMBL5578207 0.67
SCHEMBL3092501 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2872502-B1 NOVEL INDAZOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2016-08-24 EP claimed
JP-56013486-A None JP disclosed
US-20230108403-A1 COMPOSITIONS AND SYSTEMS FOR DISINFECTION Markesbery Blue Pearl LLC 2023-04-06 US disclosed
EP-4114177-A1 COMPOSITIONS AND SYSTEMS FOR DISINFECTION Markesbery Blue Pearl LLC (US) 2023-01-11 EP disclosed
WO-2021178774-A1 COMPOSITIONS AND SYSTEMS FOR DISINFECTION PANCHERI EUGENE J (US) 2021-09-10 WO disclosed
US-9045465-B1 3-heterocyclyl-substituted benzoyl derivatives BASF SE (DE) 2015-06-02 US disclosed
US-8252925-B2 Method for the production of 3-phenyl(thio)uracils and dithiouracils BASF AKTIENGESELLSCHAFT (DE) 2012-08-28 US disclosed
US-8124818-B2 Method for the production of 3-phenyl(thio) uracils and dithiouracils BASF AKTIENGESELLSCHAFT (DE) 2012-02-28 US disclosed
US-20110152522-A1 METHOD FOR THE PRODUCTION OF 3-PHENYL(THIO) URACILS AND DITHIOURACILS BASF AKTIENGESSELSCHAFT (DE) 2011-06-23 US disclosed
US-7687664-B2 Carboxylic acid derivative, a salt thereof or an ester of them, and medicament comprising it EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-30 US disclosed
US-6372693-B1 AGRICULTURAL HERBICIDES FOR CONTROLLING WEEDS BASF AKTIENGESELLSCHAFT (DE) 2002-04-16 US disclosed
US-6365398-B1 REACTING RACEMIC CARBOXYLIC ACID ESTER WITH RACEMIC ALCOHOL IN PRESENCE OF A CARBOXYL ESTER HYDROLASE BASF AKTIENGESELLSCHAFT (DE) 2002-04-02 US disclosed
US-20020025910-A1 3-heterocycly1 - substituted benzoyl derivatives DEYN WOLFGANG VON (DE) 2002-02-28 US disclosed
CN-1336918-A Substituted 2-phenylpyridines as herbicides BASF AG (DE) 2002-02-20 CN disclosed
US-6201147-B1 REACTING COMPOUNDS WITH AN ALCOHOL IN THE PRESENCE OF A LIPASE OR ESTERASE BASF AKTIENGESELLSCHAFT (DE) 2001-03-13 US disclosed
US-6150303-A Substituted 3-phenylisoxazolines BASF AKTIENGESELLSCHAFT (DE) 2000-11-21 US disclosed
US-6143696-A FOR CROP PROTECTION; HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2000-11-07 US disclosed
CN-1189824-A 1-amino-3-benzyluracils BASF AG (DE) 1998-08-05 CN disclosed
US-5739085-A CONTROLLING GRASS WEEDS IN RICE AND CORN CROPS BASF AKTIENGESELLSCHAFT (DE) 1998-04-14 US disclosed
JP-S5613486-A COMPOSITE OF SCALE REMOVING AGENT NISSAN CHEM IND LTD 1981-02-09 JP disclosed