SCHEMBL127082

SCHEMBL127082

CCC[CH]C(=O)OCC

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
SCHEMBL129526 0.86 MAPT (0.46)
SCHEMBL131145 0.84 FAAH (0.49)
SCHEMBL126105 0.83 HCAR2 (0.54)
SCHEMBL11475767 0.82 FAAH (0.51)
SCHEMBL9011795 0.82 FAAH (0.51)
SCHEMBL23924683 0.82 FAAH (0.51)
SCHEMBL11378992 0.82 FAAH (0.51)
SCHEMBL4365312 0.82 FAAH (0.51)
SCHEMBL22411216 0.82 FAAH (0.51)
SCHEMBL10772584 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110272397-B Benzothiazole amino dithio formate compound and weeding application thereof 青岛农业大学 2022-11-22 CN claimed
US-20180020662-A1 Substituted 1-cycloalkyl-2-oxotetrahydroquinolin-6-ylsulfonamides or salts thereof and use thereof to increase stress tolerance in plants BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-01-25 US claimed
EP-3256448-A1 SUBSTITUTED 1-CYCLOALKYL-2-OXOTETRAHYDROQUINOLIN-6-YL-SULFONAMIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS Bayer CropScience Aktiengesellschaft (DE) 2017-12-20 EP claimed
WO-2016128365-A1 SUBSTITUTED 1-CYCLOALKYL-2-OXOTETRAHYDROQUINOLIN-6-YL-SULFONAMIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-08-18 WO claimed
WO-2006122931-A1 BETA-CARBOLINE DERIVATIVES AND THERI USE AS GHSR MODULATORS BIOVITRUM AB (PUBL) (SE) 2006-11-23 WO claimed
US-7115617-B2 Amino-substituted pyrimidinyl derivatives and methods of use AMGEN INC. (US) 2006-10-03 US claimed
US-6979690-B2 Oxo or oxy-pyridine compounds as 5-HT4 receptor modulators PFIZER INC. (US) 2005-12-27 US claimed
US-20050197338-A1 Substituted pyrazole urea compounds for the treatment of inflammation PHARMACIA AND UPJOHN COMPANY LLC 2005-09-08 US claimed
US-6939874-B2 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. (US) 2005-09-06 US claimed
WO-2005037797-A1 SUBSTITUTED PYRAZOLE UREA COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2005-04-28 WO claimed
EP-0403360-B1 Use of phenylethanolamines for the preparation of a medicament for treating ophthalmologic disorders SANOFI SA (FR) 1996-10-16 EP claimed
WO-1995001157-A1 USE OF HYDROXYPHENYL OXIMES AS CHELATING PHOTOPROTECTANTS THE PROCTER & GAMBLE COMPANY (US) 1995-01-12 WO claimed
EP-0566589-A1 N-ALKYL QUINUCLIDINIUM SALTS AS SUBSTANCE P ANTAGONISTS PFIZER INC. (US) 1993-10-27 EP claimed
EP-0238059-B1 5H-1,3,4-Thiazole[3,2-a]pyrimidin-5-one derivatives and fungicidal compositions containing the same KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1993-06-16 EP claimed
WO-1992012151-A1 N-ALKYL QUINUCLIDINIUM SALTS AS SUBSTANCE P ANTAGONISTS PFIZER INC. (US) 1992-07-23 WO claimed
US-4971971-A FUNGICIDES KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1990-11-20 US claimed
EP-0282635-A2 5H-1,3,4-Thiadiazolo[3,2-a]pyrimidin-5-one derivatives and fungicidal compositions containing the same KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1988-09-21 EP claimed
EP-0238059-A2 5H-1,3,4-Thiazole[3,2-a]pyrimidin-5-one derivatives and fungicidal compositions containing the same KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1987-09-23 EP claimed
US-4643994-A ANTICOAGULANTS, ANTIBIOTICS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1987-02-17 US claimed
EP-0185324-A2 Novel organic trithio oxides and method for the preparation thereof THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1986-06-25 EP claimed