SCHEMBL41665

SCHEMBL41665

[CH2]COC(=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
SCHEMBL1005389 0.79
SCHEMBL29215251 0.79
SCHEMBL720297 0.79 POLB (0.43)
SCHEMBL6645574 0.79
SCHEMBL2690392 0.77 CYP4F2 (0.38)
SCHEMBL1569248 0.77 ABCB11 (0.31)
SCHEMBL4258156 0.77 POLB (0.48)
SCHEMBL681950 0.77 PRKCA (0.46)
SCHEMBL2170114 0.76 PRKCA (0.42)
SCHEMBL2900301 0.75 POLB (0.41)

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 1295 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20190330192-A1 SUBSTITUTED AZOLYLPYRROLONES AND AZOLYLHYDANTOINS AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2019-10-31 US claimed
EP-3558976-A1 SUBSTITUTED AZOLYLPYRROLONES AND AZOLYLHYDANTOINES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES Bayer CropScience Aktiengesellschaft (DE) 2019-10-30 EP claimed
EP-3558986-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) 2019-10-30 EP 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
US-20130296228-A1 EFFLUX PUMP INHIBITORS PATEL MAHESH VITHALBHAI (IN) 2013-11-07 US claimed
US-20130131032-A1 NEUROTHERAPEUTIC TREATMENT FOR SEXUAL DYSFUNCTION REVAAX PHARMACEUTICALS, LLC (US) 2013-05-23 US claimed
US-20130059774-A1 EFFLUX PUMP INHIBITORS PATEL MAHESH VITHALBHAI (IN) 2013-03-07 US claimed
EP-2536408-A1 EFFLUX PUMP INHIBITORS Wockhardt Research Centre (IN) 2012-12-26 EP claimed
WO-1989010926-A1 1,1-DIOXO-CEPHEM-4-CARBOTHIOLIC ACID DERIVATIVES FARMITALIA CARLO ERBA S.R.L. (IT) 1989-11-16 WO claimed
EP-0335390-A2 Novel cephalosporin compounds SAGAMI CHEMICAL RESEARCH CENTER (JP) 1989-10-04 EP claimed
EP-0329013-A2 Renin-inhibiting amino acid derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1989-08-23 EP claimed
US-4731361-A Alkeneamidocephalosporin esters SHIONOGI & CO., LTD. (JP) 1988-03-15 US claimed
EP-0139983-B1 CRYSTALLINE SALTS OF L OR (S)-3-(3,4-DIHYDROXYPHENYL)-2-METHYLALANINE ESTERS AND PROCESS MERCK & CO. INC. (US) 1987-10-21 EP claimed
EP-0201829-A1 1-Aryl-4-quinolone-3-carboxylic acids BAYER AG (DE) 1986-11-20 EP claimed
EP-0187376-A2 6,7-Disubstituted 1-cyclopropyl-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acids BAYER AG (DE) 1986-07-16 EP claimed
EP-0139983-A1 Crystalline salts of L or (S)-3-(3,4-dihydroxyphenyl)-2-methylalanine esters and process MERCK & CO. INC. (US) 1985-05-08 EP claimed
EP-0066378-A1 Pharmaceutical spiro-hydantoin derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-12-08 EP claimed
US-4258188-A HYPOTENSIVE AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1981-03-24 US claimed