SCHEMBL3081306

SCHEMBL3081306

C[CH]C(=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
SCHEMBL25631064 0.74 ALDH1A1 (0.39)
SCHEMBL8464139 0.74 ALDH1A1 (0.39)
SCHEMBL8875892 0.74 ALDH1A1 (0.33)
SCHEMBL8464142 0.74 ALDH1A1 (0.39)
SCHEMBL2617046 0.73
SCHEMBL2868540 0.73
SCHEMBL8084069 0.73
SCHEMBL25240738 0.71
SCHEMBL1771938 0.71
SCHEMBL1535991 0.71 MAPK1 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5317005-A Pyrimidinyl and triazinyl herbicides SCHERING AGROCHEMICALS LIMITED (GB) 1994-05-31 US claimed
EP-0539427-A1 PYRIMIDINYL AND TRIAZINYL HERBICIDES AgrEvo UK Limited (GB) 1993-05-05 EP claimed
WO-1992001677-A1 PYRIMIDINYL AND TRIAZINYL HERBICIDES SCHERING AGROCHEMICALS LIMITED (GB) 1992-02-06 WO claimed
WO-2023176458-A1 DISINFECTING COMPOSITION CONTAINING THIAZOLE CARBOXYLIC ACID HYDRAZIDE COMPOUND 石原産業株式会社 2023-09-21 WO disclosed
US-9856229-B2 Method for producing cyclic carbonate NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2018-01-02 US disclosed
CN-102596204-B New nucleic acid prodrugs and using method thereof 波涛生命科学有限公司 2016-11-23 CN disclosed
US-20160145234-A1 METHOD FOR PRODUCING CYCLIC CARBONATE NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2016-05-26 US disclosed
EP-3023418-A1 METHOD FOR MANUFACTURING CYCLIC CARBONATE National Institute of Advanced Industrial Science and Technology (JP) 2016-05-25 EP disclosed
US-20100233415-A1 OPTICAL RECORDING MEDIUM AND AZO METAL CHELATE COMPOUND MITSUI CHEMICALS, INC. (JP) 2010-09-16 US disclosed
US-20090069333-A1 FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2009-03-12 US disclosed
EP-1997856-A1 OPTICAL RECORDING MEDIUM AND AZO METAL CHELATE COMPOUND Mitsui Chemicals, Inc. (JP) 2008-12-03 EP disclosed
WO-2004056824-A2 NAPHTHYRIDINE DERIVATIVES AND THEIR USE AS FUNGICIDES SYNGENTA LIMITED (GB) 2004-07-08 WO disclosed
WO-2004056825-A1 PYRIDODIAZINES AS PLANT FUNGICIDES SYNGENTA LIMITED (GB) 2004-07-08 WO disclosed
WO-2004056826-A1 FUNGICIDES SYNGENTA LIMITED (GB) 2004-07-08 WO disclosed
US-6127570-A USEFUL AS FUNGICIDES HAVING HIGH SYSTEMICITIES AMERICAN CYANAMID COMPANY (US) 2000-10-03 US disclosed
US-5763579-A GRAFTING THIOL FUNCTIONAL GROUPS FOR CROSSLINKING; PROSTHETICS FLAMEL TECHNOLOGIES (FR) 1998-06-09 US disclosed
US-5317005-A Pyrimidinyl and triazinyl herbicides SCHERING AGROCHEMICALS LIMITED (GB) 1994-05-31 US disclosed
EP-0539427-A1 PYRIMIDINYL AND TRIAZINYL HERBICIDES AgrEvo UK Limited (GB) 1993-05-05 EP disclosed
WO-1992001677-A1 PYRIMIDINYL AND TRIAZINYL HERBICIDES SCHERING AGROCHEMICALS LIMITED (GB) 1992-02-06 WO disclosed
US-4880456-A ISOOXAZOLE CYCLOHEXANONE DERIVATIVES AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1989-11-14 US disclosed