SCHEMBL304451

SCHEMBL304451

Cc1ccc(Br)c[n+]1[O-]

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
SCHEMBL6136319 0.74
SCHEMBL9716210 0.74 PTGS2 (0.41)
SCHEMBL11730335 0.73 LMNA (0.43)
SCHEMBL4992062 0.70
SCHEMBL6136492 0.70
SCHEMBL11323882 0.70
SCHEMBL2213459 0.70
SCHEMBL9455864 0.70
SCHEMBL1008408 0.70
SCHEMBL20278472 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108164461-B Total synthesis of natural product (+/-) -ylacrine and resolution method of enantiomer 中国科学院新疆理化技术研究所 2021-03-09 CN claimed
CN-107129462-B Total synthesis of natural product (+/-) -achillea base G and resolution method of enantiomer 中国科学院新疆理化技术研究所 2020-04-10 CN claimed
CN-106045902-A Preparation method of 3-bromo-6-methyl-2-pyridylaldehyde 苏州健雄职业技术学院 2016-10-26 CN claimed
EP-2196468-B1 Exo-and diastereo-selective syntheses of himbacine analogs MERCK SHARP & DOHME (US) 2013-04-10 EP claimed
US-20120296093-A1 EXO- AND DIASTEREO- SELECTIVE SYNTHESIS OF HIMBACINE ANALOGS TOPROL ACQUISITION LLC 2012-11-22 US claimed
US-20110251392-A1 EXO- AND DIASTEREO- SELECTIVE SYNTHESIS OF HIMBACINE ANALOGS TOPROL ACQUISITION LLC 2011-10-13 US claimed
JP-4681616-B2 2011-05-11 JP claimed
EP-2196468-A1 Exo-and diastereo-selective syntheses of himbacine analogs SCHERING CORPORATION (US) 2010-06-16 EP claimed
US-20090281321-A1 EXO- AND DIASTEREO- SELECTIVE SYNTHESES OF HIMBACINE ANALOGS SCHERING CORPORATION 2009-11-12 US claimed
EP-1848705-A2 EXO- AND DIASTEREO- SELECTIVE SYNTHESES OF HIMBACINE ANALOGS SCHERING CORPORATION (US) 2007-10-31 EP claimed
US-20060247450-A1 Exo- and diastereo- selective syntheses of himbacine analogs SCHERING CORPORATION 2006-11-02 US claimed
WO-2006076415-A2 EXO- AND DIASTEREO- SELECTIVE SYNTHESES OF HIMBACINE ANALOGS SCHERING CORPORATION (US) 2006-07-20 WO claimed
US-20250282782-A1 PYRAZOLOPYRAZINE COMPOUNDS AS SHP2 INHIBITORS GENZYME CORP (US) 2025-09-11 US disclosed
US-20250034162-A1 IMIDAZOPYRIMIDINES AS EED INHIBITORS AND THE USE THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2025-01-30 US disclosed
CN-119212994-A Pyrazolopyrazine compounds as SHP2 inhibitors 建新公司 2024-12-27 CN disclosed
US-12145944-B2 Imidazopyrimidines as EED inhibitors and the use thereof REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2024-11-19 US disclosed
WO-2006020879-A1 ISOINDOLONE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS ASTRAZENECA AB (SE) 2006-02-23 WO disclosed
US-5250527-A Enzyme inhibitors; administering to reduce gastric acid secretion SMITHKLINE & FRENCH LABORATORIES LIMITED (GB) 1993-10-05 US disclosed
EP-0184322-A1 Benzimidazoles SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1986-06-11 EP disclosed
CN-85108133-A Compounds process for production thereof 1986-04-10 CN disclosed