SCHEMBL6946313

SCHEMBL6946313

CC(=O)CC(C)C(=S)Cl

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
SCHEMBL9068959 1.00
SCHEMBL9749195 1.00
SCHEMBL7138891 0.79
SCHEMBL15652934 0.77
SCHEMBL342980 0.77
SCHEMBL27891874 0.75
Hydrochloric Acid SCHEMBL10781424 0.75 ALDH1A1 (0.48)
SCHEMBL9631958 0.73 ALDH1A1 (0.46)
SCHEMBL7411053 0.73 ALDH1A1 (0.36)
SCHEMBL7411792 0.73 ALDH1A1 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115873908-A Method for generating captopril intermediate D-beta-acetylthioisobutyric acid through catalytic hydrolysis 金达威生物技术(江苏)有限公司 2023-03-31 CN disclosed
EP-0802182-B1 PROCESS FOR PRODUCING N-(D-alpha-METHYL-beta-MERCAPTOPROPIONYL)-L-PROLINE AND INTERMEDIATES THEREOF KANEKA CORP (JP) 2003-08-27 EP disclosed
EP-0889031-B1 SIMPLE PROCESS FOR PRODUCING HIGH-QUALITY CAPTOPRIL KANEKA CORP (JP) 2003-01-15 EP disclosed
US-6187932-B1 SUBJECTING N-(D-ALPHA-METHYL-BETA-ACYLTHIOPROPIONYL)-L-PROLINE TO HYDROLYSIS REACTION IN AQUEOUS MEDIUM IN PRESENCE OF STRONG ACID AT SPECIFIED TEMPERATURE TO REMOVE ACYL GROUP, ISOLATING CAPTOPRIL KANEKA CORPORATION (JP) 2001-02-13 US disclosed
US-5917055-A CAPTOPRIL KANEKA CORPORATION (JP) 1999-06-29 US disclosed
EP-0889031-A1 SIMPLE PROCESS FOR PRODUCING HIGH-QUALITY CAPTOPRIL KANEKA CORPORATION (JP) 1999-01-07 EP disclosed
EP-0802182-A1 PROCESS FOR PRODUCING N-(D-$g(a)-METHYL-$g(b)-MERCAPTOPROPIONYL)-L-PROLINE AND INTERMEDIATES THEREOF KANEKA CORPORATION (JP) 1997-10-22 EP disclosed
US-5496805-A DIURETIC, HYPOTENSIVE E. R. SQUIBB & SONS, INC. (US) 1996-03-05 US disclosed
US-5473081-A Reacting proline with acylthiopropionic acid halide, deacylating product MITSUBISHI RAYON CO., LTD. (JP) 1995-12-05 US disclosed
US-5387697-A Process for the preparation of 1-[3-acetylthio-2(s)-methylpropanoyl]-l-proline MERCK & CO., INC. (US) 1995-02-07 US disclosed
US-4173704-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1979-11-06 US disclosed
US-4156084-A Certain dimers of tetrahydropyridine-2-carboxylic acids or pyrroline-2-carboxylic acids and derivatives thereof E. R. SQUIBB & SONS, INC. (US) 1979-05-22 US disclosed
US-4154942-A Certain tetrahydropyridine-2-carboxylic acids and pyrroline-2-carboxylic acids and derivatives thereof E. R. SQUIBB & SONS, INC. (US) 1979-05-15 US disclosed
US-4154840-A Antihypertensive pipecolic acid derivatives E. R. SQUIBB & SONS, INC. (US) 1979-05-15 US disclosed
US-4140797-A MERCAPTOACYL AMINO ACIDS, ENZYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1979-02-20 US disclosed
US-4140786-A ENZYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1979-02-20 US disclosed
US-4129566-A Derivatives of dehydrocyclicimino acids E. R. SQUIBB & SONS, INC. (US) 1978-12-12 US disclosed
US-4112119-A MERCAPTOACYL AMINOACIDS E. R. SQUIBB & SONS, INC. (US) 1978-09-05 US disclosed
US-4105776-A ANGIOTENSIN CONVERTING ENZYME INHIBITORS, HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1978-08-08 US disclosed
US-4053651-A MERCAPTOACYL AMINO ACIDS, ENZYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1977-10-11 US disclosed