SCHEMBL1661431

SCHEMBL1661431

COC(=O)CC(C)N

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
SCHEMBL4375047 1.00
SCHEMBL1144127 1.00
Hydrochloric Acid SCHEMBL2746439 0.97
Hydrochloric Acid SCHEMBL15903971 0.97
Hydrochloric Acid SCHEMBL7327737 0.97
SCHEMBL28092277 0.95 TSHR (0.44)
Acetic Acid SCHEMBL5787793 0.93 MGAM (0.42)
Ethylene Glycol SCHEMBL28092276 0.93 TSHR (0.40)
Acetic Acid SCHEMBL27510639 0.93 MGAM (0.42)
SCHEMBL1143953 0.91 TSHR (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150322094-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2015-11-12 US claimed
EP-2892343-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS Bayer CropScience AG (DE) 2015-07-15 EP claimed
WO-2014037349-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2014-03-13 WO claimed
EP-1603549-A2 IMPROVED BIOAVAILABILITY AND IMPROVED DELIVERY OF ACIDIC PHARMACEUTICAL DRUGS Yu, Ruey J., Dr. (US) 2005-12-14 EP claimed
US-20040220264-A1 Bioavailability and improved delivery of acidic pharmaceutical drugs YU RUEY J 2004-11-04 US claimed
WO-2004082628-A2 IMPROVED BIOAVAILABILITY AND IMPROVED DELIVERY OF ACIDIC PHARMACEUTICAL DRUGS YU RUEY J (US) 2004-09-30 WO claimed
US-12016856-B2 Compounds and methods for inhibiting NHE-mediated antiport in the treatment of disorders associated with fluid retention or salt overload and gastrointestinal tract disorders ARDELYX, INC. (US) 2024-06-25 US disclosed
CN-113861110-B Polysubstituted sulfonamide compound, preparation method and medical application thereof 中国药科大学 2024-03-01 CN disclosed
WO-2023179366-A1 OXADIAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF 星希尔生物科技(上海)有限公司 2023-09-28 WO disclosed
US-20230210112-A1 METHOD FOR GROWING PLANTS TAMINCO BV (BE) 2023-07-06 US disclosed
US-20220396581-A1 COMPOUNDS FOR THE TREATMENT OF PARAMYXOVIRUS VIRAL INFECTIONS Janssen Biopharma, Inc. (US) 2022-12-15 US disclosed
CN-111989332-B Macrocyclic compounds as CDK inhibitors, their preparation and their use in medicine 凯复(苏州)生物医药有限公司 2022-07-26 CN disclosed
US-20220017520-A1 MACROCYCLIC COMPOUND AS CDK INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF IN MEDICINE Keythera (Suzhou) Pharmaceuticals Co. Ltd. (CN) 2022-01-20 US disclosed
EP-0610334-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII b?III a? RECEPTOR. GENENTECH INC (US) 1994-08-17 EP disclosed
US-5250679-A Nonpeptidyl platelet aggregation inhibitors having specificity for the GPIIb III.sub. receptor GENENTECH, INC. (US) 1993-10-05 US disclosed
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO disclosed
US-4863903-A RENIN ENZYME INHIBITORS, HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1989-09-05 US disclosed
US-4719288-A HYPOTENSIVE CIBA-GEIGY CORPORATION (US) 1988-01-12 US disclosed
US-4613676-A PEPTIDES CIBA-GEIGY CORPORATION (US) 1986-09-23 US disclosed
US-4585887-A Process for the production of optically active 3-aminocarboxylic acid esters LONZA LTD. (CH) 1986-04-29 US disclosed