SCHEMBL755245

SCHEMBL755245

O=Cc1cc[n+]([O-])cc1

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
SCHEMBL1425978 0.72
SCHEMBL39012 0.72
SCHEMBL18885010 0.72
SCHEMBL14844485 0.72
Formic Acid SCHEMBL31029236 0.72 HDAC8 (0.50)
SCHEMBL4956384 0.71 CYP2A6 (0.69)
SCHEMBL31171 0.71 CYP2A6 (0.69)
SCHEMBL9690127 0.70
SCHEMBL4071509 0.70
Iodide SCHEMBL7049251 0.70 HDAC8 (0.54)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9287052-B2 Additives for dye-sensitized solar cells MERCK PATENT GMBH (DE) 2016-03-15 US claimed
US-20130292601-A1 Additives for Dye-Sensitized Solar Cells MERCK PATENT GMBH (DE) 2013-11-07 US claimed
CN-101635367-A Method for protecting lithium ion power battery from over-charge and over-discharge CHANGCHUN LIYUAN NEW ENERGY TE 2010-01-27 CN claimed
EP-1758546-B1 USE OF SPECIAL POLYOLS FOR INHIBITING THE CRYSTALLIZATION OF ONIUM ALDEHYDES AND ONIUM KETONES HENKEL KGAA (DE) 2007-09-05 EP claimed
US-20060084176-A1 Detection of uronium salts YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2006-04-20 US claimed
CN-1558898-A Antiviral agent ��Ұ����ҩ��ʽ���� 2004-12-29 CN claimed
EP-1037586-B1 UTILIZATION OF ONIUM ALDEHYDES AND ONIUM KETONES FOR DYING FIBERS CONTAINING KERATIN HENKEL KGAA (DE) 2004-12-22 EP claimed
EP-1422218-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2004-05-26 EP claimed
US-6371993-B1 HAIR DYES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2002-04-16 US claimed
US-5017212-A For rice paddies TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-05-21 US claimed
US-20230312570-A1 METHOD FOR PREPARING MORPHINAN DERIVATIVE HAVING DIARYL ETHER SKELETON USING NOVEL COPPER CATALYST NIPPON CHEMIPHAR CO., LTD. (JP) 2023-10-05 US disclosed
EP-4206203-A1 METHOD FOR PREPARING MORPHINAN DERIVATIVE HAVING DIARYL ETHER SKELETON USING NOVEL COPPER CATALYST Nippon Chemiphar Co., Ltd. (JP) 2023-07-05 EP disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-9884832-B2 Inhibitors targeting drug-resistant influenza A THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2018-02-06 US disclosed
US-20170360801-A1 BROMODOMAIN INHIBITOR AS ADJUVANT IN CANCER IMMUNOTHERAPY H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2017-12-21 US disclosed
US-4665065-A 3-pyrazolo(1,5-aαpyridinium cephem compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-05-12 US 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
US-4497808-A N-Oxide compounds useful in the treatment of cardiovascular ailments CIBA-GEIGY CORPORATION (US) 1985-02-05 US disclosed