SCHEMBL4227708

SCHEMBL4227708

COc1nc(OC)nc(C(SC)c2cccc(Br)c2N)n1

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
SCHEMBL2289763 0.86
SCHEMBL2286990 0.85 ALDH1A1 (0.32)
SCHEMBL3782833 0.85 MCHR1 (0.35)
SCHEMBL2287644 0.84 NPC1 (0.32)
SCHEMBL2287297 0.84 HSP90AA1 (0.32)
SCHEMBL3741203 0.81
SCHEMBL9960647 0.80 ALDH1A1 (0.34)
SCHEMBL2285873 0.76 GAA (0.30)
SCHEMBL2285602 0.76
SCHEMBL2288291 0.72 ALDH1A1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096551-B2 Method for producing 2-(triazinylcarbonyl) sulfonanilides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-08-04 US disclosed
US-9096551-B2 Method for producing 2-(triazinylcarbonyl) sulfonanilides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-08-04 US disclosed
EP-2655346-B1 PROCESS FOR THE PREPARATION OF 2-(TRIAZINYLCARBONYL)SULFONANILIDES BAYER IP GMBH (DE) 2015-01-21 EP disclosed
US-20140024828-A1 Method for producing 2-(triazinylcarbonyl) sulfonanilides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-01-23 US disclosed
US-20140024828-A1 Method for producing 2-(triazinylcarbonyl) sulfonanilides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-01-23 US disclosed
WO-2012084857-A2 METHOD FOR PRODUCING 2-(TRIAZINYLCARBONYL) SULFONANILIDES BAYER CROPSCIENCE AG (DE) 2012-06-28 WO disclosed
US-20090062536-A1 USE OF SULFONANILIDE COMPOUNDS AS HERBICIDE BAYER CROPSCIENCE AG 2009-03-05 US disclosed