SCHEMBL454004

SCHEMBL454004

C1=[N+]c2ccccc2O1

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
SCHEMBL448818 0.58
SCHEMBL16399898 0.57 ABCG2 (0.42)
SCHEMBL451430 0.57 CYP2A6 (0.31)
SCHEMBL30334802 0.57 LMNA (0.43)
SCHEMBL3557 0.57
SCHEMBL121647 0.57 LMNA (0.43)
SCHEMBL451791 0.56
SCHEMBL452615 0.56
Dioxane SCHEMBL23674718 0.56 LMNA (0.62)
SCHEMBL8668546 0.55 MAOA (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 376 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4065570-A1 SUBSTITUTED AMINOQUINOLONES AS DGKALPHA INHIBITORS FOR IMMUNE ACTIVATION Bayer Aktiengesellschaft (DE) 2022-10-05 EP claimed
WO-2021105115-A1 SUBSTITUTED AMINOQUINOLONES AS DGKALPHA INHIBITORS FOR IMMUNE ACTIVATION BAYER AKTIENGESELLSCHAFT (DE) 2021-06-03 WO claimed
EP-3535267-A1 [1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AS PDE2 INHIBITORS Janssen Pharmaceutica NV (BE) 2019-09-11 EP claimed
EP-3294059-A1 EC FORMULATIONS COMPRISING ORGANOPHOSPHATE INSECTICIDES S.I.P.C.A.M. Società Italiana Prodotti Chimici e Per L' Agricoltura Milano S.p.A (IT) 2018-03-21 EP claimed
EP-3294060-A1 EC FORMULATIONS COMPRISING ORGANOPHOSPHATE INSECTICIDES S.I.P.C.A.M. Società Italiana Prodotti Chimici e Per L' Agricoltura Milano S.p.A (IT) 2018-03-21 EP claimed
WO-2016180655-A1 EC FORMULATIONS COMPRISING ORGANOPHOSPHATE INSECTICIDES SIPCAM SOCIETÀ ITALIANA PRODOTTI CHIMICI E PER L'AGRICOLTURA MILANO S.P.A. (IT) 2016-11-17 WO claimed
WO-2016180658-A1 EC FORMULATIONS COMPRISING ORGANOPHOSPHATE INSECTICIDES SIPCAM SOCIETÀ ITALIANA PRODOTTI CHIMICI E PER L'AGRICOLTURA MILANO S.P.A. (IT) 2016-11-17 WO claimed
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 US claimed
EP-1814537-B1 MACROCYCLIC TERTIARY AMINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (US) 2014-11-12 EP claimed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 US claimed
US-20110245156-A1 NOVEL ANTIVIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE CYTOKINE PHARMASCIENCES, INC. (US) 2011-10-06 US claimed
WO-2011058766-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2011-05-19 WO claimed
WO-2010077740-A2 NOVEL ANTIVIRAL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE CYTOKINE PHARMASCIENCES, INC. (US) 2010-07-08 WO claimed
US-20090312356-A1 NICOTINIC AGONISTS SELECTIVE FOR THE ALPHA7 RECEPTOR SUBTYPE, THE PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS THEREFROM UNIVERSITA DEGLI STUDI DI MILANO (IT) 2009-12-17 US claimed
EP-2038281-A2 NICOTINIC AGONISTS SELECTIVE FOR THE ALPHA7 RECEPTOR SUBTYPE, THE PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS THEREFROM Universita' degli Studi di Milano (IT) 2009-03-25 EP claimed
WO-2008000469-A2 NICOTINIC AGONISTS SELECTIVE FOR THE ALPHA7 RECEPTOR SUBTYPE, THE PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS THEREFROM UNIVERSITA DEGLI STUDI DI MILANO (IT) 2008-01-03 WO claimed
EP-1608639-A2 NOVEL BICYCLIC UREA DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISORDERS Bayer Pharmaceuticals Corporation (US) 2005-12-28 EP claimed
WO-2004078748-A2 NOVEL BICYCLIC UREA DERIVATIVES USEFUL IN THE TREATMENT OF CANCER AND OTHER DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2004-09-16 WO claimed
EP-1289985-B1 BETA-CARBOLINE DERIVATIVES USEFUL AS INHIBITORS OF PHOSPHODIESTERASE ORTHO MCNEIL PHARM INC (US) 2003-12-10 EP claimed
EP-0396282-A2 N-aryl-N-[4-(heterocyclicalkyl) piperidinyl]amides and pharmaceutical compositions and methods employing such compounds BOC, INC. (US) 1990-11-07 EP claimed