SCHEMBL5196121

SCHEMBL5196121

O=C(O)C1C=CC=CC1(Br)[N+](=O)[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
SCHEMBL1208278 0.76
SCHEMBL905943 0.76
SCHEMBL20660050 0.76
SCHEMBL6396903 0.75
SCHEMBL2458974 0.75
SCHEMBL3825681 0.75
SCHEMBL774896 0.75
SCHEMBL8931197 0.74
Hydrochloric Acid SCHEMBL4021937 0.74
SCHEMBL856758 0.72

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
CN-107188841-B A kind of synthetic method of asymmetry diaryl list selenide compound 温州医科大学 2019-07-16 CN claimed
CN-103880683-A Chemical synthesis method of 3-bromo-2-nitrobenzaldehyde UNIV NANTONG 2014-06-25 CN claimed
CN-107188840-B A kind of synthetic method of asymmetry diaryl selenide compound 温州医科大学 2019-10-11 CN disclosed
CN-110312711-A Heterocyclic compound and its application method as RAS inhibitor 亚瑞克西斯制药公司 2019-10-08 CN disclosed
CN-110294742-A And ring class ASK1 inhibitor and its application 山东轩竹医药科技有限公司 2019-10-01 CN disclosed
CN-105530932-B Primary formamide as BTK inhibitor 艾伯维公司 2019-09-27 CN disclosed
CN-107188841-B A kind of synthetic method of asymmetry diaryl list selenide compound 温州医科大学 2019-07-16 CN disclosed
CN-104350055-B Bicyclic heteroaryl derivatives and application thereof as MNK1 and MNK2 regulator 新加坡科技研究局 2019-05-31 CN disclosed
CN-105530932-A Primary carboxamides as BIK inhibitors ABBVIE INC 2016-04-27 CN disclosed
CN-105218516-A Therapeutic compounds and related methods of use OTSUKA PHARMA CO LTD 2016-01-06 CN disclosed
CN-105189496-A Pyridylpyrazoloquinoline compounds EISAI R&D MAN CO LTD 2015-12-23 CN disclosed
CN-102482221-B bicyclic and tricyclic compounds as KATII inhibitors PFIZER INC. (US) 2014-10-22 CN disclosed
CN-104059103-A Synthesis method of arylphosphate compounds 63975 PLA TROOPS 2014-09-24 CN disclosed
CN-103930423-A Pyrazoloquinoline Derivatives EISAI R&D MAN CO LTD 2014-07-16 CN disclosed
CN-103917525-A Inhibitors of LRRK2 kinase activity ELAN PHARM INC 2014-07-09 CN disclosed
CN-103880683-A Chemical synthesis method of 3-bromo-2-nitrobenzaldehyde UNIV NANTONG 2014-06-25 CN disclosed
CN-101103026-A Bicyclic heteroaryl derivatives for treating viruses GENELABS INC (US) 2008-01-09 CN disclosed
EP-1844042-A1 INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2007-10-17 EP disclosed
US-20060211698-A1 Bicyclic heteroaryl derivatives for treating viruses GENELABS, INC. 2006-09-21 US disclosed
WO-2006076529-A1 INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS GENELABS TECHNOLOGIES, INC. (US) 2006-07-20 WO disclosed