SCHEMBL258797

SCHEMBL258797

O=[N+]([O-])c1c[c]ccn1

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
SCHEMBL27460076 0.72 ALDH1A1 (0.35)
Water SCHEMBL16702558 0.67 KDM4E (0.43)
Water SCHEMBL28219863 0.67 KDM4E (0.43)
SCHEMBL445953 0.65
SCHEMBL449344 0.65
SCHEMBL574613 0.64
SCHEMBL9098682 0.64 GUCY1B2 (0.32)
SCHEMBL33930 0.64
SCHEMBL29542640 0.64
SCHEMBL563511 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111909082-B Pyridine hydrazone derivatives, and preparation method and application thereof 湖南大学 2022-09-13 CN claimed
CN-111909082-A Pyridine hydrazone derivatives, and preparation method and application thereof 湖南大学 2020-11-10 CN claimed
EP-2375898-B1 NOVEL HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2015-09-16 EP claimed
CN-1356988-A Phenoxy fluoropyrimidines BAYER AG (DE) 2002-07-03 CN claimed
EP-1194417-A1 PHENOXY FLUOROPYRIMIDINES BAYER AG (DE) 2002-04-10 EP claimed
WO-2000078733-A1 PHENOXY FLUOROPYRIMIDINES BAYER AKTIENGESELLSCHAFT (DE) 2000-12-28 WO claimed
CN-111909082-B Pyridine hydrazone derivatives, and preparation method and application thereof 湖南大学 2022-09-13 CN disclosed
CN-111909082-A Pyridine hydrazone derivatives, and preparation method and application thereof 湖南大学 2020-11-10 CN disclosed
EP-3174115-B1 CHARGE TRANSPORT MATERIAL NISSAN CHEMICAL CORP (JP) 2020-05-20 EP disclosed
US-10632207-B2 Compounds and medical devices activated with solvophobic linkers SOFRADIM PRODUCTION (FR) 2020-04-28 US disclosed
CN-106575709-B Charge-transporting material 日产化学工业株式会社 2020-01-07 CN disclosed
CN-106659161-B Amide compound and its harmful arthropod prevent and kill off purposes 住友化学株式会社 2019-08-02 CN disclosed
CN-106572659-B Harmful arthropod agent for preventing and eliminating containing amide compound 住友化学株式会社 2019-05-10 CN disclosed
EP-0516486-A2 Azetidinone derivatives useful in the preparation of carbapenem antibiotics Sankyo Company Limited (JP) 1992-12-02 EP disclosed
CN-1017708-B METHOD FOR PREPARATION OF PYRAZOLOTRIAZINE COMPOUNDS OTSUKA CHEMICAL CO LTD (JP) 1992-08-05 CN disclosed
US-5047521-A Anticarcinogenic agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-09-10 US disclosed
US-4824834-A TREATING GOUT OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1989-04-25 US disclosed
EP-0269859-A2 Pyrazolotriazine compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-06-08 EP disclosed
CN-87107217-A Method for preparation of pyrazolotriazine compounds 1988-05-11 CN disclosed
EP-0247381-A2 5-flurorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-12-02 EP disclosed