SCHEMBL446901

SCHEMBL446901

O=[N+]([O-])c1ccn[c]n1

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
SCHEMBL4585931 0.71
SCHEMBL3293002 0.67 PDE10A (0.36)
SCHEMBL448923 0.67
SCHEMBL11874665 0.65
SCHEMBL1531250 0.64 ALDH1A1 (0.38)
SCHEMBL3293293 0.64 MAPT (0.39)
SCHEMBL20969962 0.64 SOS1 (0.33)
SCHEMBL448962 0.62
SCHEMBL537339 0.61 MAPT (0.39)
SCHEMBL251217 0.61 SOS1 (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190290670-A1 METHODS AND COMPOSITIONS FOR TREATING HEPATITIS C VIRUS IDENIX PHARMACEUTICALS LLC (US) 2019-09-26 US claimed
US-9192621-B2 Esters and malonates of SATE prodrugs IDENIX PHARMACEUTICALS LLC (US) 2015-11-24 US claimed
EP-2375898-B1 NOVEL HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2015-09-16 EP claimed
US-20130149283-A1 METHODS AND COMPOSITIONS FOR TREATING HEPATITIS C VIRUS UNIVERSITA DEGLI STUDI DI CAGLIARI (IT) 2013-06-13 US claimed
WO-2024135721-A1 METHOD FOR PRODUCING PRODUCTION INTERMEDIATE, PRODUCTION INTERMEDIATE THEREOF, AND METHOD FOR PRODUCING CROSSLINKED ARTIFICIAL NUCLEIC ACID INTERMEDIATE BY USING SAME 田辺三菱製薬株式会社 2024-06-27 WO disclosed
US-20240010648-A1 HETEROCYCLIC COMPOUND AND HARMFUL ARTHROPOD-CONTROLLING COMPOSITION CONTAINING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2024-01-11 US disclosed
EP-4223756-A1 HETEROCYCLIC COMPOUND AND HARMFUL ARTHROPOD-CONTROLLING COMPOSITION CONTAINING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-08-09 EP disclosed
CN-116456818-A Heterocyclic compound and harmful arthropod control composition containing same 住友化学株式会社 2023-07-18 CN disclosed
US-10961269-B2 Bridged nucleic acid GuNA, method for producing same, and intermediate compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2021-03-30 US disclosed
US-20180251488-A1 CROSSLINKED NUCLEIC ACID GUNA, METHOD FOR PRODUCING SAME, AND INTERMEDIATE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2018-09-06 US disclosed
EP-3351548-A1 CROSSLINKED NUCLEIC ACID GUNA, METHOD FOR PRODUCING SAME, AND INTERMEDIATE COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2018-07-25 EP disclosed
WO-2016059412-A1 6,7-HETEROCYCLIC FUSED 5H-PYRROLO[1,2-C]IMIDAZOLE DERIVATIVES AND THEIR USE AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) AND/OR TRYPTOPHAN 2,3-DIOXYGENASE (TD02) MODULATORS REDX PHARMA PLC (GB) 2016-04-21 WO disclosed
CN-104193693-A NOVEL HERBICIDES SYNGENTA LTD 2014-12-10 CN disclosed
US-8889595-B2 Herbicides SYNGENTA PARTICIPATIONS AG (CH) 2014-11-18 US disclosed
US-20120291159-A1 Azoline Compounds for Combating Invertebrate Pests BASF SE (DE) 2012-11-15 US disclosed
US-20120065064-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-03-15 US disclosed
WO-2011073444-A2 AZOLINE COMPOUNDS FOR COMBATING INVERTEBRATE PESTS BASF SE (DE) 2011-06-23 WO disclosed
EP-0035228-B1 TETRAZOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, AND ANTI-ULCER COMPOSITION CONTAINING THE SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1985-01-02 EP disclosed
US-4372953-A Tetrazole derivatives, and anti-ulcer composition containing the same OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1983-02-08 US disclosed
EP-0035228-A1 Tetrazole derivatives, process for the preparation thereof, and anti-ulcer composition containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1981-09-09 EP disclosed