SCHEMBL2404820

SCHEMBL2404820

CC[CH]C(C)OC

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
SCHEMBL1253745 0.73
SCHEMBL10406818 0.73
SCHEMBL10762892 0.73
SCHEMBL16044751 0.73
SCHEMBL16613107 0.71
SCHEMBL7776526 0.71
SCHEMBL15592149 0.71
SCHEMBL15592138 0.71
SCHEMBL14616135 0.71
SCHEMBL15592236 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9149034-B2 Agrochemical formulations comprising co-polymers based on diisocyanates BASF SE (DE) 2015-10-06 US disclosed
CN-101541168-B Agrochemical formulations comprising diisocyanate-based copolymers BASF SE 2013-05-15 CN disclosed
US-20110237594-A1 FUNGICIDE HERETOCYCLYL-TRIAZINYL-AMINO DERIVATIVES BAYER CROPSCIENCE AG (DE) 2011-09-29 US disclosed
EP-2088856-B1 AGROCHEMICAL FORMULATIONS COMPRISING CO-POLYMERS BASED ON DIISOCYANATES BASF SE (DE) 2010-08-25 EP disclosed
US-20100029480-A1 Agrochemical Formulations Comprising Co-polymers Based on Diisocyanates BASF SE (DE) 2010-02-04 US disclosed
CN-101541168-A Agrochemical formulations comprising diisocyanate-based copolymers BASF SE (DE) 2009-09-23 CN disclosed
EP-2088856-A1 AGROCHEMICAL FORMULATIONS COMPRISING CO-POLYMERS BASED ON DIISOCYANATES BASF SE (DE) 2009-08-19 EP disclosed
WO-2008065050-A1 AGROCHEMICAL FORMULATIONS COMPRISING CO-POLYMERS BASED ON DIISOCYANATES BASF SE (DE) 2008-06-05 WO disclosed
US-20050176730-A1 Amide and urea derivatives as 5-HT reuptake inhibitors and as 5-HT 1B/1D ligands MERCK PATENT GMBH (DE) 2005-08-11 US disclosed
US-20030064995-A1 Amide and urea derivatives as 5-HT reuptake inhibitors and as5-HT1B/1D ligands MERCK PATENT GMBH (DE) 2003-04-03 US disclosed
US-6509340-B1 These preparations can be employed as medicaments in human and veterinary medicine. Possible excipients are organic or inorganic substances which are suitable for enteral (e.g. oral) on the central nervous system. MERCK PATENTGESELLSCHAFT (DE) 2003-01-21 US disclosed
CN-1336924-A Amide and urea derivatives as 5-HT reuptake inhibitors and at 5-HT 1B/1D ligands MERCK PATENT GMBH (DE) 2002-02-20 CN disclosed
US-5405964-A Angiotensin antagonist MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-04-11 US disclosed
EP-0595151-A2 Imidazopyridine derivates as antagonists of angiotensin II MERCK PATENT GmbH (DE) 1994-05-04 EP disclosed
EP-0073443-B1 2H-1,2,4,6-THIATRIAZINE-1,1 DIOXIDES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES BASF Aktiengesellschaft (DE) 1986-11-05 EP disclosed
EP-0071051-B1 3,4,5,6-TETRAHYDRO-1,2,4,6-THIATRIAZINE(3,5)-DIONE-1,1 DIOXIDES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES BASF Aktiengesellschaft (DE) 1986-05-07 EP disclosed
US-4426219-A 2H-1,2,4,6-Thiatriazine-1-dioxides and their use for controlling undesirable plant growth BASF AKTIENGESELLSCHAFT (DE) 1984-01-17 US disclosed
EP-0073443-A1 2H-1,2,4,6-thiatriazine-1,1 dioxides, process for their preparation and their use as herbicides BASF Aktiengesellschaft (DE) 1983-03-09 EP disclosed
EP-0071051-A1 3,4,5,6-Tetrahydro-1,2,4,6-thiatriazine(3,5)-dione-1,1 dioxides, process for their preparation and their use as herbicides BASF Aktiengesellschaft (DE) 1983-02-09 EP disclosed