SCHEMBL22818

SCHEMBL22818

CC([O])C(C)(C)C

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
SCHEMBL4283744 0.76
SCHEMBL2879805 0.76
SCHEMBL11504891 0.74
SCHEMBL10544025 0.73
SCHEMBL1169302 0.73
SCHEMBL21596509 0.73
SCHEMBL19640336 0.73
SCHEMBL11822042 0.70
SCHEMBL12712951 0.70
SCHEMBL9164183 0.70

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

Appears in 4137 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023213745-A1 PROCESS FOR PREPARING A POLYCARBONATE BY METAL CATALYZED CROSS COUPLING COVESTRO DEUTSCHLAND AG (DE) 2023-11-09 WO claimed
WO-2023135106-A1 PROCESS FOR PREPARING A POLYCARBONATE BY FRIEDEL-CRAFTS ALKYLATION COVESTRO DEUTSCHLAND AG (DE) 2023-07-20 WO claimed
WO-2023135105-A1 PROCESS FOR PREPARING A POLYCARBONATE BY FRIEDEL-CRAFTS ALKYLATION COVESTRO DEUTSCHLAND AG (DE) 2023-07-20 WO claimed
EP-4212571-A1 PROCESS FOR PREPARING A POLYCARBONATE BY FRIEDEL-CRAFTS ACYLATION Covestro Deutschland AG (DE) 2023-07-19 EP claimed
US-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES BAYER AG (DE) 2020-12-17 US claimed
EP-3728214-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES Bayer Aktiengesellschaft (DE) 2020-10-28 EP claimed
CN-111727185-A Substituted N-heterocyclyl-and N-heteroaryltetrahydropyrimidines and their salts and their use as herbicidal active substances 拜耳公司 2020-09-29 CN claimed
US-20200095241-A1 SUBSTITUTED 1,2,4-THIADIAZOLYLPYRROLONES AND 1,2,4-THIADIAZOLYLHYDANTOINS AND SALTS THEREOF AND USE THEREOF AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2020-03-26 US claimed
US-20200079765-A1 SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2020-03-12 US claimed
WO-2020002091-A1 SUBSTITUTED THIAZOLYLPYRROLONES, SALTS THEREOF AND THE USE THEREOF AS HERBICIDAL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2020-01-02 WO claimed
EP-3322686-B1 PROCESS FOR PREPARING AN ARYLPROPENE BASF SE (DE) 2019-09-11 EP claimed
US-10308580-B2 Process for preparing an arylpropene BASF SE (DE) 2019-06-04 US claimed
US-10202323-B2 Process for preparing an arylpropene BASF SE (DE) 2019-02-12 US claimed
US-20180208532-A1 PROCESS FOR PREPARING AN ARYLPROPENE BASF SE (DE) 2018-07-26 US claimed
US-20180208533-A1 PROCESS FOR PREPARING AN ARYLPROPENE BASF SE (DE) 2018-07-26 US claimed
WO-2018114663-A1 SUBSTITUTED AZOLYLPYRROLONES AND AZOLYLHYDANTOINES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-06-28 WO claimed
WO-2018114662-A1 SUBSTITUTED 1,2,4-THIADIAZOLYL PYRROLONES AND 1,2,4-THIADIAZOLYL HYDANTOINES AND SALTS THEREOF AND USE THEREOF AS HERBICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-06-28 WO claimed
WO-2018114596-A1 SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-06-28 WO claimed
US-20050282838-A1 Compounds, compositions, and methods CYTOKINETICS, INC. 2005-12-22 US claimed
EP-0098020-A2 Imaging film and film-forming composition, method for recording electromagnetic radiation, quinone compounds and method of synthesizing quinone compounds ENERGY CONVERSION DEVICES, INC. (US) 1984-01-11 EP claimed