SCHEMBL9816014

SCHEMBL9816014

[O-][N+]1(O)CCCC1

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
SCHEMBL14914148 0.96
SCHEMBL1457573 0.96
SCHEMBL9512592 0.87
SCHEMBL16986050 0.67
SCHEMBL14331814 0.64
SCHEMBL2809033 0.61
SCHEMBL15540901 0.60
SCHEMBL18843427 0.56 KDM4E (0.31)
SCHEMBL8665236 0.56
SCHEMBL5899117 0.56

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3458455-B1 NOVEL PYRAZINE COMPOUNDS WITH OXYGEN, SULFUR AND NITROGEN LINKER FOR THE TREATMENT OF INFECTIOUS DISEASES HOFFMANN LA ROCHE (CH) 2021-06-16 EP claimed
CN-109153682-B Novel pyrazine compounds with oxygen, sulfur and nitrogen linkers for the treatment of infectious diseases 豪夫迈·罗氏有限公司 2021-05-25 CN claimed
US-10604527-B2 Pyrazine compounds for the treatment of hepatitis B infection HOFFMANN-LA ROCHE INC. (US) 2020-03-31 US claimed
US-20190185476-A1 NOVEL PYRAZINE COMPOUNDS WITH OXYGEN SULFUR AND NITROGEN LINKER FOR THE TREATMENT OF INFECTIOUS DISEASES HOFFMANN-LA ROCHE INC. (US) 2019-06-20 US claimed
EP-3458455-A1 NOVEL PYRAZINE COMPOUNDS WITH OXYGEN, SULFUR AND NITROGEN LINKER FOR THE TREATMENT OF INFECTIOUS DISEASES H. Hoffnabb-La Roche Ag (CH) 2019-03-27 EP claimed
WO-2017198744-A1 NOVEL PYRAZINE COMPOUNDS WITH OXYGEN, SULFUR AND NITROGEN LINKER FOR THE TREATMENT OF INFECTIOUS DISEASES F. HOFFMANN-LA ROCHE AG (CH) 2017-11-23 WO claimed
JP-3128916-A None JP disclosed
EP-3458455-B1 NOVEL PYRAZINE COMPOUNDS WITH OXYGEN, SULFUR AND NITROGEN LINKER FOR THE TREATMENT OF INFECTIOUS DISEASES HOFFMANN LA ROCHE (CH) 2021-06-16 EP disclosed
CN-109153682-B Novel pyrazine compounds with oxygen, sulfur and nitrogen linkers for the treatment of infectious diseases 豪夫迈·罗氏有限公司 2021-05-25 CN disclosed
WO-2020191501-A1 METHODS AND USES OF BEMITHYL AND DERIVATIVES FOR TREATING LUNG DISEASE, FATTY LIVER DISEASE, AND KIDNEY DISORDERS ALGERNON PHARMACEUTICALS INC. (CA) 2020-10-01 WO disclosed
EP-3080119-B1 TETRAHYDROIMIDAZOPYRIDINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB Biopharma SRL (BE) 2020-07-08 EP disclosed
EP-3080128-B1 IMIDAZOPYRIDAZINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB Biopharma SRL (BE) 2020-06-24 EP disclosed
EP-3080127-B1 IMIDAZOPYRIMIDINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB Biopharma SRL (BE) 2020-06-24 EP disclosed
EP-2858983-A1 TNF -ALPHA MODULATING BENZIMIDAZOLES UCB Biopharma SPRL (BE) 2015-04-15 EP disclosed
WO-2014009295-A1 IMIDAZOPYRIDINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB PHARMA S.A. (BE) 2014-01-16 WO disclosed
WO-2014009296-A1 IMIDAZOPYRAZINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB PHARMA S.A. (BE) 2014-01-16 WO disclosed
WO-2013186229-A1 TNF -ALPHA MODULATING BENZIMIDAZOLES UCB PHARMA S.A. (BE) 2013-12-19 WO disclosed
EP-2594554-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Dainippon Sumitomo Pharma Co., Ltd. (JP) 2013-05-22 EP disclosed
US-20130116227-A1 BIARYL AMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-05-09 US disclosed
JP-H03128916-A REACTIVE THERMOSET RESIN COMPOSITION AND PRODUCTION OF HEAT-RESISTANT MOLDED ARTICLE THEREFROM NIPPON PAINT CO LTD 1991-05-31 JP disclosed