SCHEMBL614538

SCHEMBL614538

C=Cc1cc(OC(C)(C)C)cc2nc(OC(C)C)sc12

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
SCHEMBL616550 0.88
SCHEMBL28032098 0.80 FGFR1 (0.32)
SCHEMBL27697097 0.79 ELANE (0.32)
SCHEMBL14771565 0.77 PTGS1 (0.30)
SCHEMBL616683 0.77 PTGS1 (0.30)
SCHEMBL616209 0.77 PTGS1 (0.30)
SCHEMBL27958479 0.77 PTGS1 (0.34)
SCHEMBL13977162 0.75 ACACB (0.33)
SCHEMBL14764723 0.75
SCHEMBL14764721 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106187942-B Benzothiazolone compounds 诺华股份有限公司 2020-06-26 CN disclosed
US-10251868-B2 Benzothiazolone compound NOVARTIS AG (CH) 2019-04-09 US disclosed
US-10251868-B2 Benzothiazolone compound NOVARTIS AG (CH) 2019-04-09 US disclosed
US-20180140582-A1 BENZOTHIAZOLONE COMPOUND NOVARTIS AG (CH) 2018-05-24 US disclosed
US-20180140582-A1 BENZOTHIAZOLONE COMPOUND NOVARTIS AG (CH) 2018-05-24 US disclosed
US-20180140582-A1 BENZOTHIAZOLONE COMPOUND NOVARTIS AG (CH) 2018-05-24 US disclosed
US-9913828-B2 Benzothiazolone compound NOVARTIS AG (CH) 2018-03-13 US disclosed
US-9913828-B2 Benzothiazolone compound NOVARTIS AG (CH) 2018-03-13 US disclosed
US-9913828-B2 Benzothiazolone compound NOVARTIS AG (CH) 2018-03-13 US disclosed
EP-3243817-A1 SALTS OF BENZOTHIAZOLONE COMPOUND AS BETA-2-ADRENOCEPTOR AGONIST Novartis AG (CH) 2017-11-15 EP disclosed
WO-2013035047-A1 BENZOTHIAZOLONE COMPOUND NOVARTIS AG (CH) 2013-03-14 WO disclosed
CN-101065370-B 5-hydroxy-benzothiazole derivatives having beta-2-adrenoreceptor agonist activity NOVARTIS AG 2012-11-14 CN disclosed
US-20120041041-A1 5-HYDROXY-BENZOTHIAZOLE DERIVATIVES HAVING BETA-2-ADRENORECEPTOR AGONIST ACTIVITY NOVARTIS AG 2012-02-16 US disclosed
US-8076489-B2 3H-benzothiazol-2-one derivatives, for example, (R)-7-[2-(1,1-dimethyl-2-phenyl-ethylamino)-1-hydroxy-ethyl]-5-hydroxy-3H-benzothiazol-2-one; useful for treating conditions that are prevented or alleviated by activation of the beta 2-adrenoreceptor NOVARTIS AG (CH) 2011-12-13 US disclosed
EP-1819686-B1 5-HYDROXY-BENZOTHIAZOLE DERIVATIVES HAVING BETA-2-ADRENORECPTOR AGONIST ACTIVITY NOVARTIS AG (CH) 2011-08-17 EP disclosed
EP-2305659-A1 5-hydroxy-benzothiazole derivatives having beta-2-adrenoreceptor agonist activity Novartis AG (CH) 2011-04-06 EP disclosed
US-20080096940-A1 5-Hydroxy-Benzothiazole Derivatives Having Beta-2-Adrenoreceptor Agonist Activity NOVARTIS AG (CH) 2008-04-24 US disclosed
CN-101065370-A 5-hydroxy-benzothiazole derivatives having beta-2-adrenoreceptor agonist activity NOVARTIS AG (CH) 2007-10-31 CN disclosed
EP-1819686-A1 5-HYDROXY-BENZOTHIAZOLE DERIVATIVES HAVING BETA-2-ADRENORECPTOR AGONIST ACTIVITY Novartis AG (CH) 2007-08-22 EP disclosed
WO-2006056471-A1 5-HYDROXY-BENZOTHIAZOLE DERIVATIVES HAVING BETA-2-ADRENORECPTOR AGONIST ACTIVITY NOVARTIS AG (CH) 2006-06-01 WO disclosed