SCHEMBL3254653

SCHEMBL3254653

COc1n[nH]c(=O)n1C

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
SCHEMBL3211179 0.77 NOTUM (0.35)
SCHEMBL8801537 0.76
SCHEMBL8307063 0.76
SCHEMBL7547690 0.75 PDE4A (0.33)
SCHEMBL7552091 0.72 ADORA2A (0.32)
SCHEMBL8768659 0.72 KDM4E (0.35)
SCHEMBL7549227 0.71 ADRA1A (0.39)
SCHEMBL8799184 0.71 CYP2C9 (0.32)
SCHEMBL16324213 0.70 MAOA (0.43)
SCHEMBL8801755 0.70 LMNA (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1833813-B1 METHOD FOR THE PRODUCTION OF SUBSTITUTED THIOPHENESULFONYL ISOCYANATES BAYER CROPSCIENCE AG (DE) 2010-05-26 EP claimed
US-7674917-B2 Process for preparing substituted thiophenesulfonyl isocyanates BAYER CROPSCIENCE AG (DE) 2010-03-09 US claimed
US-20090281334-A1 PROCESS FOR PREPARING SUBSTITUTED THIOPHENESULFONYL ISOCYANATES BAYER CROPSCIENCE (DE) 2009-11-12 US claimed
EP-1833813-A1 METHOD FOR THE PRODUCTION OF SUBSTITUTED THIOPHENESULFONYL ISOCYANATES Bayer CropScience Aktiengesellschaft (DE) 2007-09-19 EP claimed
WO-2006072376-A1 METHOD FOR THE PRODUCTION OF SUBSTITUTED THIOPHENESULFONYL ISOCYANATES BAYER CROPSCIENCE AG (DE) 2006-07-13 WO claimed
EP-1113010-B1 A process for the manufacture of substituted triazolinones BAYER AG (US) 2003-10-08 EP claimed
EP-1113009-A1 A process for the manufacture of the salts of sulfonylaminocarbonyl triazolinones Bayer Corporation (US) 2001-07-04 EP claimed
EP-1113010-A1 A process for the manufacture of substituted triazolinones Bayer Corporation (US) 2001-07-04 EP claimed
US-6222045-B1 REACTION OF AN ISOTHIOCYANATE WITH AN ALKANOL TO PRODUCE THIONOCARBAMATE INTERMEDIATE; ALKYLATION OF INTERMEDIATE; REACTING ALKYLATED INTERMEDIATE WITH ALKOXYCARBOBYL OR ARYLOXYCARBONYL HYDRAZINE AND REACTING WITH BASE BAYER CORPORATION 2001-04-24 US claimed
US-6197971-B1 CYCLIZATION REACTION OF THIONOCARBAMATE WITH HYDRAZINE; ALKYLATION; HERBICIDE CHEMICAL INTERMEDIATES BAYER CORPORATION 2001-03-06 US claimed
US-6147221-A Process for the manufacture of sulfonylaminocarbonyl triazolinones and salts thereof BAYER CORPORATION (US) 2000-11-14 US claimed
US-6147222-A Process for the manufacture of sulfonylaminocarbonyl triazolinones and salts thereof under pH controlled conditions BAYER CORPORATION (US) 2000-11-14 US claimed
EP-0507171-B1 Sulfonylaminocarbonyltriazolinones with oxygen-bound substituents BAYER AG (DE) 1997-10-01 EP claimed
EP-0477646-B1 Substituted 5-alkoxy-1,2,4-triazol-3-(thi)ones BAYER AG (DE) 1995-03-01 EP claimed
JP-8099963-A None JP disclosed
EP-4522598-A1 BICYCLIC COMPOUNDS AND THEIR USE AS PEST CONTROL AGENTS PI Industries Ltd. (IN) 2025-03-19 EP disclosed
CN-119546584-A Bicyclic compounds and their use as pest control agents PI工业有限公司 2025-02-28 CN disclosed
US-5094683-A Herbicides BAYER AKTIENGESELLSCHAFT (DE) 1992-03-10 US disclosed
US-5057144-A Herbicides BAYER AKTIENGESELLSCHAFT (DE) 1991-10-15 US disclosed
EP-0422469-A2 Sulfonylaminocarbonyltriazolinones BAYER AG (DE) 1991-04-17 EP disclosed