SCHEMBL3552391

SCHEMBL3552391

[CH2]C(C)(C)CC=CC

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
SCHEMBL3552389 1.00
SCHEMBL2000208 0.76
SCHEMBL21523586 0.76
SCHEMBL640519 0.76
SCHEMBL2000209 0.76
SCHEMBL2140378 0.75
SCHEMBL2140381 0.75
SCHEMBL11856630 0.73
SCHEMBL9236287 0.73
SCHEMBL10785986 0.72 TSHR (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1613607-B1 BENZENESULPHONAMIDE DERIVATIVES AS HERBICIDES OR DESICCANT/DEFOLIANT COMPOUNDS BASF SE (DE) 2013-01-09 EP disclosed
US-7741485-B2 Benzenesulphonamide derivatives as herbicides or desiccant/defoliant compounds BASF AKTIENGESELLSCHAFT (DE) 2010-06-22 US disclosed
EP-1501361-B1 3-HETEROARYL SUBSTITUTED 5-METHYLOXYMETHYL ISOXAZOLINES USED AS HERBICIDES BASF SE (DE) 2009-09-30 EP disclosed
US-7381687-B2 3-heteroaryl substituted 5-methyloxymethyl isoxazolines used as herbicides BASF AKTIENGESELLSCHAFT (DE) 2008-06-03 US disclosed
CN-101125833-A Optically active bisoxazoline compounds, process for production of the same and use thereof SUMITOMO CHEMICAL CO (JP) 2008-02-20 CN disclosed
US-20060211577-A1 Benzenesulphonamide derivatives as herbicides or desiccant/defoliant compounds BASF AKTIENGESELLSCHAFT (DE) 2006-09-21 US disclosed
CN-1771236-A Optically active bisoxazoline compound, process for producing the same, and use thereof SUMITOMO CHEMICAL CO (JP) 2006-05-10 CN disclosed
EP-1613607-A1 BENZENESULPHONAMIDE DERIVATIVES AS HERBICIDES OR DESICCANT/DEFOLIANT COMPOUNDS BASF Aktiengesellschaft (DE) 2006-01-11 EP disclosed
CN-1649498-A 3-heteroaryl substituted 5-methyloxymethyl isoxazolines used as herbicides BASF AG (DE) 2005-08-03 CN disclosed
US-20050165020-A1 3-heteroaryl substituted 5-methyloxymethyl isoxazolines used as herbicides BASF AKTIENGESELLSCHAFT (DE) 2005-07-28 US disclosed
US-5965611-A TREATING CHRONIC PERIPHERAL ARTERIAL OCCLUSION BY ADMINISTERING EMULSION COMPRISING ISOCARBACYCLIN, VEGETABLE OIL, PHOSPHOLIPID, AND WATER TEIGIN LIMITED (JP) 1999-10-12 US disclosed
EP-0634171-B1 PHARMACEUTICAL COMPOSITION FOR TREATING CEREBRAL THROMBOSIS TEIJIN LTD (JP) 1999-05-06 EP disclosed
US-5656663-A THERAPY FOR SKIN ULCERS TEIJIN LIMITED (JP) 1997-08-12 US disclosed
EP-0761225-A1 PHARMACEUTICAL COMPOSITION FOR TREATING PERIPHERAL CIRCULATION DISORDER TEIJIN LIMITED (JP) 1997-03-12 EP disclosed
US-5610182-A ADMINISTERING AN ISOCARBACYCLIN OF SPECIFIC STRUCTURE IN THE FORM OF A FAT EMULSION TEIJIN, LIMITED (JP) 1997-03-11 US disclosed
US-5530027-A PROSTAGLANDINS AND/OR ITS OPTICAL ISOMER FOR SKIN DISORDERS TEIJIN LIMITED (JP) 1996-06-25 US disclosed
CN-1102038-A External skin therapeutic agent composition containing prostacyclin as active ingredient TEIJIN LTD (JP) 1995-04-26 CN disclosed
EP-0638312-A1 DERMATOLOGIC PREPARATION COMPOSITION CONTAINING ISOCARBACYCLIN AS ACTIVE INGREDIENT TEIJIN LIMITED (JP) 1995-02-15 EP disclosed
EP-0634172-A1 DERMATOLOGIC PREPARATION COMPOSITION CONTAINING PROSTACYCLIN AS ACTIVE INGREDIENT TEIJIN LIMITED (JP) 1995-01-18 EP disclosed
EP-0634171-A1 PHARMACEUTICAL COMPOSITION FOR TREATING CEREBRAL THROMBOSIS TEIJIN LIMITED (JP) 1995-01-18 EP disclosed