SCHEMBL5467331

SCHEMBL5467331

CS(=O)(=O)CCCCBr

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
SCHEMBL5457975 0.97 ALDH1A1 (0.41)
SCHEMBL1118598 0.91
SCHEMBL777321 0.84 ALDH1A1 (0.52)
SCHEMBL5461072 0.81 ALDH1A1 (0.50)
SCHEMBL9185106 0.81 ALDH1A1 (0.50)
SCHEMBL164582 0.78
SCHEMBL3913999 0.77 ALDH1A1 (0.46)
SCHEMBL23571344 0.75
SCHEMBL1121512 0.73
SCHEMBL312705 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9064633-B2 Method for synthesizing quaternary ammonium systems HONEYWELL INTERNATIONAL INC. (US) 2015-06-23 US claimed
US-20130264510-A1 METHOD FOR SYNTHESIZING QUATERNARY AMMONIUM SYSTEMS HONEYWELL INT INC (US) 2013-10-10 US claimed
US-8426593-B2 Method for synthesizing quaternary ammonium systems HONEYWELL INTERNATIONAL INC. (US) 2013-04-23 US claimed
US-20070049750-A1 Method for synthesizing spiro quartenary ammonium systems HONEYWELL INTERNATIONAL INC. (US) 2007-03-01 US claimed
US-10189838-B2 Aza-oxo-indoles for the treatment and prophylaxis of respiratory syncytial virus infection HOFFMAN-LA ROCHE INC. (US) 2019-01-29 US disclosed
US-20180072726-A9 NOVEL AZA-OXO-INDOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2018-03-15 US disclosed
US-9890178-B2 Azabenzimidazoles as respiratory syncytial virus antiviral agents JANSSEN SCIENCES IRELAND UC (IE) 2018-02-13 US disclosed
CN-105392787-B For treating and preventing the azepine oxindole of respiratory syncytial virus infection 豪夫迈·罗氏有限公司 2017-11-24 CN disclosed
US-20160237096-A1 AZABENZIMIDAZOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN SCIENCES IRELAND UC (IE) 2016-08-18 US disclosed
US-20160237096-A1 AZABENZIMIDAZOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN SCIENCES IRELAND UC (IE) 2016-08-18 US disclosed
US-9321767-B2 Azabenzimidazoles as respiratory syncytial virus antiviral agents JANSSEN SCIENCES IRELAND UC (IE) 2016-04-26 US disclosed
US-9321767-B2 Azabenzimidazoles as respiratory syncytial virus antiviral agents JANSSEN SCIENCES IRELAND UC (IE) 2016-04-26 US disclosed
US-8927720-B2 Azabenzimidazoles as respiratory syncytial virus antiviral agents JANSSEN R&D IRELAND (IE) 2015-01-06 US disclosed
WO-2014184163-A1 AZA-OXO-INDOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2014-11-20 WO disclosed
CN-103347881-A Azabenzimidazoles as respiratory syncytial virus antiviral agents JANSSEN R & D IRELAND 2013-10-09 CN disclosed
US-20130261151-A1 AZABENZIMIDAZOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN R & D IRELAND (IE) 2013-10-03 US disclosed
WO-2012080449-A1 AZABENZIMIDAZOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN R&D IRELAND (IE) 2012-06-21 WO disclosed
CN-1145619-A Substituted pyridine leukotriene B4 antagonists HOFFMANN LA ROCHE (CH) 1997-03-19 CN disclosed
EP-0755381-A1 SUBSTITUTED PYRIDINE LEUKOTRIENE B 4 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1997-01-29 EP disclosed
WO-1995028386-A1 SUBSTITUTED PYRIDINE LEUKOTRIENE B4 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1995-10-26 WO disclosed