SCHEMBL727190

SCHEMBL727190

CS(=O)(=O)c1ccc(C(=O)C2(Br)CCCCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
ENPP2 Q13822 1/20 0.40
GSR P00390 2/20 0.40
AKR1C3 P42330 2/20 0.40
PTGS2 P35354 3/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL7487934 0.80 HTT (0.46) HTTKMT2AENPP2GSRAKR1C3
SCHEMBL725808 0.76 HTT (0.58) HTTKMT2A
SCHEMBL1446377 0.75 AKR1C1 (0.42) HTTKMT2A
SCHEMBL726159 0.75 MEN1 (0.46) KMT2A
SCHEMBL727242 0.75 HTT (0.45) HTTKMT2AGSRPTGS2
SCHEMBL3678905 0.73 OPRM1 (0.33)
SCHEMBL4209794 0.73 AKR1C1 (0.44) KMT2A
SCHEMBL3672688 0.72 CES2 (0.42) HTTKMT2A
SCHEMBL1553747 0.69 HPGD (0.38) HTTKMT2A
SCHEMBL1553898 0.69 HPGD (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2585431-B1 METAL FREE BLEACHING COMPOSITION BASF SE (DE) 2017-09-06 EP disclosed
EP-2585431-B1 METAL FREE BLEACHING COMPOSITION BASF SE (DE) 2017-09-06 EP disclosed
US-9657435-B2 Metal free bleaching composition BASF SE (DE) 2017-05-23 US disclosed
US-9657435-B2 Metal free bleaching composition BASF SE (DE) 2017-05-23 US disclosed
US-9657435-B2 Metal free bleaching composition BASF SE (DE) 2017-05-23 US disclosed
CN-102958909-B metal-free bleaching compositions 巴斯夫欧洲公司 2016-11-09 CN disclosed
US-20130117941-A1 METAL FREE BLEACHING COMPOSITION BASF SE (DE) 2013-05-16 US disclosed
US-20130117941-A1 METAL FREE BLEACHING COMPOSITION BASF SE (DE) 2013-05-16 US disclosed
US-20130117941-A1 METAL FREE BLEACHING COMPOSITION BASF SE (DE) 2013-05-16 US disclosed
EP-2585431-A1 METAL FREE BLEACHING COMPOSITION BASF SE (DE) 2013-05-01 EP disclosed
CN-102958909-A metal-free bleaching compositions BASF S E 2013-03-06 CN disclosed
WO-2012000846-A1 METAL FREE BLEACHING COMPOSITION BASF SE (DE) 2012-01-05 WO disclosed
WO-2012000846-A1 METAL FREE BLEACHING COMPOSITION BASF SE (DE) 2012-01-05 WO disclosed