SCHEMBL2582250

SCHEMBL2582250

CC[CH]OC1CCCC1

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
SCHEMBL3349465 0.97 EPHX1 (0.38)
SCHEMBL765983 0.97 EPHX1 (0.38)
SCHEMBL6383370 0.97 EPHX1 (0.38)
SCHEMBL125380 0.94
SCHEMBL127042 0.88
SCHEMBL6379898 0.82 NAAA (0.33)
SCHEMBL6384799 0.80 NAAA (0.35)
SCHEMBL5321699 0.80 NAAA (0.35)
SCHEMBL6381348 0.80 NAAA (0.35)
SCHEMBL2356087 0.79 NAAA (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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111302926-A β -diketone cerium (IV) compound and preparation and application thereof 湖北固润科技股份有限公司 2020-06-19 CN disclosed
US-20190002604-A1 HETERORING-CONTAINING SILOXANE POLYMER, COMPOSITION CONTAINING SAID POLYMER, AND ELECTRONIC ELEMENT DAINIPPON INK & CHEMICALS (JP) 2019-01-03 US disclosed
US-10106558-B2 Azolobenzazine compounds, compositions comprising these compounds and their use for controlling invertebrate pests BASF SE (DE) 2018-10-23 US disclosed
US-20180223181-A1 SILOXANE MONOMER, POLYMER THEREOF, COMPOSITION CONTAINING SAID POLYMER, AND ELECTRONIC ELEMENT DAINIPPON INK & CHEMICALS (JP) 2018-08-09 US disclosed
US-20180002346-A1 AZOLOBENZAZINE COMPOUNDS, COMPOSITIONS COMPRISING THESE COMPOUNDS AND THEIR USE FOR CONTROLLING INVERTEBRATE PESTS BASF SE (DE) 2018-01-04 US disclosed
EP-3245205-A1 AZOLOBENZAZINE COMPOUNDS, COMPOSITIONS COMPRISING THESE COMPOUNDS AND THEIR USE FOR CONTROLLING INVERTEBRATE PESTS BASF SE (DE) 2017-11-22 EP disclosed
EP-3022185-B1 PESTICIDE COMPOUNDS BASF SE (DE) 2017-09-06 EP disclosed
EP-2474527-B1 IONIC LIQUID CONTAINING ALLYLSULFONATE ANION WAKO PURE CHEM IND LTD (JP) 2017-01-25 EP disclosed
US-9497970-B2 Pesticide compounds BASF SE (DE) 2016-11-22 US disclosed
WO-2016113271-A1 IMIDAZOISOQUINOLINE COMPOUNDS, COMPOSITIONS COMPRISING THE COMPOUNDS AND THEIR USE FOR CONTROLLING INVERTEBRATE PESTS BASF SE (DE) 2016-07-21 WO disclosed
US-6482774-B1 Substituted (4-brompyrazole-3-yl) benzazoles BASF AKTIENGESELLSCHAFT (DE) 2002-11-19 US disclosed
EP-0915853-B1 SUBSTITUTED 3-PHENYL PYRAZOLES BASF AG (DE) 2002-11-06 EP disclosed
EP-1076660-B1 SUBSTITUTED (4-BROMPYRAZOLE-3-YL)BENZAZOLES BASF AG (DE) 2002-06-26 EP disclosed
US-6383986-B1 USE AS HERBICIDES, DESICCANTS OR DEFOLIANTS AND PLANT SAFENING AGENTS BASF AKTIENGESELLSCHAFT (DE) 2002-05-07 US disclosed
CN-1302298-A Substituted (4-brompyrazole-3-yl) indole BASF AG (DE) 2001-07-04 CN disclosed
US-6232470-B1 AGRICULTURE BASF AKTIENGESELLSCHAFT (DE) 2001-05-15 US disclosed
US-6197973-B1 HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2001-03-06 US disclosed
CN-1244865-A Substituted pyrazole-3-yl benzazoles BASF AK (DE) 2000-02-16 CN disclosed
US-5981557-A HAVING IMPROVING EFFECTS ON THE DYSMOTILITY IN THE GASTROINTESTINAL TRACT ZERIA PHARMACEUTICAL CO., LTD. (JP) 1999-11-09 US disclosed
EP-0870765-A1 AMINOTHIAZOLE DERIVATIVES, DRUG CONTAINING THE SAME AND INTERMEDIATE IN THE PRODUCTION OF THE COMPOUNDS ZERIA PHARMACEUTICAL CO., LTD. (JP) 1998-10-14 EP disclosed