SCHEMBL1044124

SCHEMBL1044124

Cc1c[n+]([O-])cc(C)c1Br

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
SCHEMBL10073213 0.75 GPR84 (0.32)
SCHEMBL3395408 0.71
SCHEMBL20822276 0.71 SOS1 (0.31)
SCHEMBL2111397 0.69
SCHEMBL11071521 0.69
SCHEMBL7951653 0.67 ACHE (0.33)
SCHEMBL14088910 0.67 LMNA (0.30)
SCHEMBL11956553 0.65
SCHEMBL20822264 0.65 TSHR (0.36)
SCHEMBL3639631 0.63

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2646425-B1 Indanyloxydihydrobenzofuranylacetic acids useful for the treatment of metabolic syndrome BOEHRINGER INGELHEIM INT (DE) 2015-06-10 EP disclosed
US-8835423-B2 Azepine inhibitors of janus kinases INCYTE CORPORATION (US) 2014-09-16 US disclosed
US-20140031344-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2014-01-30 US disclosed
US-8563541-B2 Azepine inhibitors of Janus kinases INCYTE CORPORATION (US) 2013-10-22 US disclosed
EP-2646425-A1 INDANYLOXYDIHYDROBENZOFURANYLACETIC ACIDS Boehringer Ingelheim International GmbH (DE) 2013-10-09 EP disclosed
US-8349222-B2 Twisted π-electron system chromophore compounds with very large molecular hyperpolarizabilities and related compositions and devices NORTHWESTERN UNIVERSITY (US) 2013-01-08 US disclosed
US-20120329782-A1 AZEPINE INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2012-12-27 US disclosed
US-20120302566-A1 INDANYLOXYDIHYDROBENZOFURANYLACETIC ACIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-29 US disclosed
US-20120302566-A1 INDANYLOXYDIHYDROBENZOFURANYLACETIC ACIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-29 US disclosed
WO-2012072691-A1 INDANYLOXYDIHYDROBENZOFURANYLACETIC ACIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 WO disclosed
US-20070149506-A1 Azepine inhibitors of Janus kinases INCYTE CORPORATION 2007-06-28 US disclosed
WO-2007038215-A1 TETRACYCLIC INHIBITORS OF JANUS KINASES INCYTE CORPORATION (US) 2007-04-05 WO disclosed
CN-1882589-A Novel heterocyclic compounds as HSP 90-inhibitors CONFORMA THERAPEUTICS CORP (US) 2006-12-20 CN disclosed
US-20060237368-A1 Twisted pi-electron system chromophore compounds with very large molecular hyperpolarizabilities and related compositions and devices NATIONAL SCIENCE FOUNDATION 2006-10-26 US disclosed
WO-2006102620-A2 TWISTED π-ELECTRON SYSTEM CHROMOPHORE COMPOUNDS WITH VERY LARGE MOLECULAR HYPERPOLARIZABILITIES AND RELATED COMPOSITIONS AND DEVICES NORTHWESTERN UNIVERSITY (US) 2006-09-28 WO disclosed
US-6806371-B2 BY MEANS OF PHASE TRANSFER CATALYSIS DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2004-10-19 US disclosed
CN-1493561-A Preparation of substituted pyridine N-oxide compound DSM精细化学奥地利NFG两合公司 2004-05-05 CN disclosed
US-20040063957-A1 Preparation of substituted pyridine N-oxide compounds DSM FINE CHEMICALS AUSTRIA NFG GMBH & COKG (AT) 2004-04-01 US disclosed
EP-1005457-A1 PREPARATION OF PYRIDINE DERIVATIVES Seal Sands Chemicals Limited (GB) 2000-06-07 EP disclosed
WO-1999010326-A1 PREPARATION OF PYRIDINE DERIVATIVES SEAL SANDS CHEMICALS LIMITED (GB) 1999-03-04 WO disclosed