SCHEMBL3020675

SCHEMBL3020675

CC1(C)C(=O)N(Br)C(C)(C)N1Cl

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
SCHEMBL2283835 0.75 POLB (0.30)
SCHEMBL2283493 0.75 POLB (0.30)
SCHEMBL5852442 0.73 POLB (0.35)
SCHEMBL4561752 0.64
SCHEMBL22578 0.62
SCHEMBL6113832 0.62 ALDH1A1 (0.35)
SCHEMBL4561392 0.62 ALDH1A1 (0.35)
SCHEMBL6113810 0.62 ALDH1A1 (0.35)
SCHEMBL4561754 0.62 ALDH1A1 (0.35)
SCHEMBL17535305 0.61

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3072774-B2 2000-08-07 JP claimed
EP-0513239-B1 N,N'-DIHALOIMIDAZOLIDIN-4-ONES UNIV AUBURN (US) 1998-04-08 EP claimed
EP-0513239-A4 N,N'-DIHALOIMIDAZOLIDIN-4-ONES 1993-03-10 EP claimed
EP-0513239-A1 N,N'-DIHALOIMIDAZOLIDIN-4-ONES AUBURN UNIVERSITY (US) 1992-11-19 EP claimed
US-5126057-A Stabilizers against solar radiation AUBURN RESEARCH FOUNDATION (US) 1992-06-30 US claimed
US-5057612-A Stable, noncorrosive bicoide, disinfectant AUBURN RESEARCH FOUNDATION (US) 1991-10-15 US claimed
WO-1991010623-A1 N,N'-DIHALOIMIDAZOLIDIN-4-ONES AUBURN UNIVERSITY (US) 1991-07-25 WO claimed
US-9629376-B2 Microbiocidal treatment of edible fruits and vegetables ALBEMARLE CORPORATION (US) 2017-04-25 US disclosed
WO-2014110235-A1 MICROBIOCIDAL TREATMENT OF EDIBLE FRUITS AND VEGETABLES ALBEMARLE CORPORATION (US) 2014-07-17 WO disclosed
US-20130129843-A1 Microbiocidal Treatment Of Edible Fruits And Vegetables ALBEMARLE CORPORATION (US) 2013-05-23 US disclosed
US-8349380-B2 Bromine-based biocides suitable for food processing ALBEMARLE CORPORATION (US) 2013-01-08 US disclosed
US-20100196566-A1 Bromine-Based Biocides Suitable For Food Processing ALBEMARLE CORPORATION (US) 2010-08-05 US disclosed
US-20100035950-A1 Microbiocidal Treatment Of Edible Fruits And Vegetables ALBEMARLE CORPORATION (US) 2010-02-11 US disclosed
WO-2008089086-A2 BROMINE-BASED BIOCIDES SUITABLE FOR FOOD PROCESSING ALBEMARLE CORPORATION (US) 2008-07-24 WO disclosed
WO-2008089089-A2 MICROBIOCIDAL TREATMENT OF EDIBLE FRUITS AND VEGETABLES ALBEMARLE CORPORATION (US) 2008-07-24 WO disclosed