SCHEMBL1176799

SCHEMBL1176799

O=C1CCCC(O)=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
SCHEMBL1804161 0.83
SCHEMBL592856 0.72
SCHEMBL11040974 0.68
SCHEMBL20796853 0.68
SCHEMBL3450599 0.68
SCHEMBL18921579 0.68
SCHEMBL1176138 0.68
SCHEMBL4753680 0.68
SCHEMBL5610168 0.67 MAPT (0.35)
SCHEMBL289021 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1945605-B1 PROCESS FOR PREPARING SUBSTITUTED ANISIDINES BOEHRINGER INGELHEIM INT (DE) 2013-01-09 EP disclosed
EP-1945605-B1 PROCESS FOR PREPARING SUBSTITUTED ANISIDINES BOEHRINGER INGELHEIM INT (DE) 2013-01-09 EP disclosed
US-7884246-B2 starting from substituted cyclic hydroxy-ketones via aromatization through a substituted oxime intermediate; avoids the use of cryogenic conditions, minimizes the number of operations for an overall faster cycle time; in the preperation of drugs for hepatitis C viral infections BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-08 US disclosed
US-7884246-B2 starting from substituted cyclic hydroxy-ketones via aromatization through a substituted oxime intermediate; avoids the use of cryogenic conditions, minimizes the number of operations for an overall faster cycle time; in the preperation of drugs for hepatitis C viral infections BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-08 US disclosed
US-7884246-B2 starting from substituted cyclic hydroxy-ketones via aromatization through a substituted oxime intermediate; avoids the use of cryogenic conditions, minimizes the number of operations for an overall faster cycle time; in the preperation of drugs for hepatitis C viral infections BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-08 US disclosed
US-20080293972-A1 Process for Preparing Substituted Anisidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-11-27 US disclosed
US-20080293972-A1 Process for Preparing Substituted Anisidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-11-27 US disclosed
US-20080293972-A1 Process for Preparing Substituted Anisidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-11-27 US disclosed
EP-1945605-A1 PROCESS FOR PREPARING SUBSTITUTED ANISIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-23 EP disclosed
WO-2007053755-A1 PROCESS FOR PREPARING SUBSTITUTED ANISIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-10 WO disclosed
WO-2007053755-A1 PROCESS FOR PREPARING SUBSTITUTED ANISIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-10 WO disclosed
EP-1226146-A2 QUINOLINE AND NAPHTHYRIDINE CARBOXYLIC ACID ANTIBACTERIALS ABBOTT LABORATORIES (US) 2002-07-31 EP disclosed
US-20020049223-A1 Quinoline and naphthyridine carboxylic acid antibacterials ABBOTT LABORATORIES 2002-04-25 US disclosed
WO-2001032655-A2 QUINOLINE AND NAPHTHYRIDINE CARBOXYLIC ACID ANTIBACTERIALS ABBOTT LABORATORIES (US) 2001-05-10 WO disclosed