SCHEMBL193779

SCHEMBL193779

O=[C]c1ccn[nH]1

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
SCHEMBL3264763 0.74
SCHEMBL671939 0.74
SCHEMBL17469623 0.66 KDM4E (0.33)
SCHEMBL9781900 0.64
SCHEMBL3946075 0.64
SCHEMBL2003550 0.64
SCHEMBL2000571 0.63
SCHEMBL403109 0.63
SCHEMBL3068150 0.61 SCN4A (0.62)
SCHEMBL25589555 0.60

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109563081-A It can be used as the heterocycleamide class of protein modulators 葛兰素史克知识产权开发有限公司 2019-04-02 CN claimed
CN-101945861-A A kind of preparation method of benzamide compound SINOCHEM CORP 2011-01-12 CN claimed
US-5017212-A For rice paddies TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-05-21 US claimed
CN-1035828-A Benzo benzodioxole derivatives and preparation method thereof TANABE SEIYAKU CO (JP) 1989-09-27 CN claimed
EP-0329326-A1 Benzodioxole derivatives and processes for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1989-08-23 EP claimed
US-20230143246-A1 LIQUID PREPARATIONS OF AMINES AND ORGANIC ACIDS STABILIZED BY SALTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-05-11 US disclosed
US-20230088365-A1 PROCESS FOR PRODUCING PYRROLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-03-23 US disclosed
CN-114835619-A Process for preparing azole compounds 武田药品工业株式会社 2022-08-02 CN disclosed
CN-110200903-B Liquid formulations of amines and organic acids stabilized with salts 武田药品工业株式会社 2022-07-29 CN disclosed
WO-2021261471-A1 THERAPEUTIC AGENT FOR OBSESSIVE-COMPULSIVE DISORDER 国立大学法人京都大学 2021-12-30 WO disclosed
EP-3929187-A2 PROCESS FOR PRODUCING PYRROLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2021-12-29 EP disclosed
US-20210179614-A1 HETEROCYCLIC COMPOUND FIMECS, INC. (JP) 2021-06-17 US disclosed
EP-0225634-A2 Antibacterial compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1987-06-16 EP disclosed
US-4665065-A 3-pyrazolo(1,5-aαpyridinium cephem compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-05-12 US disclosed
EP-0216385-A2 Antibacterial compounds Takeda Chemical Industries, Ltd. (JP) 1987-04-01 EP disclosed
CN-85105977-A The preparation method of antimicrobial compounds 1987-02-25 CN disclosed
CN-85105988-A The preparation method of cephem compounds 1986-10-29 CN disclosed
EP-0164113-A2 3-pyrazolo(1,5-a)pyridinium cephem compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1985-12-11 EP disclosed
EP-0164122-A2 Cephem compounds Takeda Chemical Industries, Ltd. (JP) 1985-12-11 EP disclosed
EP-0160252-A2 Antibacterial compounds Takeda Chemical Industries, Ltd. (JP) 1985-11-06 EP disclosed