SCHEMBL4071509

SCHEMBL4071509

O=Cc1ccc[n+]([O-])c1

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
SCHEMBL5113382 0.75 MEN1 (0.48)
SCHEMBL5114084 0.74 MEN1 (0.43)
SCHEMBL5162501 0.73
Iodide SCHEMBL10528918 0.71 HDAC8 (0.61)
SCHEMBL755245 0.70
SCHEMBL6510805 0.70 GPR84 (0.47)
Formic Acid SCHEMBL31273947 0.69 CYP2A6 (0.35)
SCHEMBL9716225 0.67 MEN1 (0.48)
SCHEMBL10635570 0.64 MEN1 (0.41)
SCHEMBL4046859 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 65 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1139926-A Pyridine derivatives as pesticides CIBA GEIGY AG (CH) 1997-01-08 CN claimed
EP-0737191-A1 PYRIDINE DERIVATIVES AS PESTICIDES Novartis AG (CH) 1996-10-16 EP claimed
US-5512588-A ANTIULCER AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-30 US claimed
WO-1995018123-A1 PYRIDINE DERIVATIVES AS PESTICIDES CIBA-GEIGY AG (CH) 1995-07-06 WO claimed
CN-116940562-A Acetamido-phenylbenzamide derivatives and methods of use thereof 希华医药有限公司 2023-10-24 CN disclosed
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-4225745-A1 ACETAMIDO-PHENYLBENZAMIDE DERIVATIVES AND METHODS OF USING THE SAME Athenex, Inc. (US) 2023-08-16 EP 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
WO-2022076662-A1 ACETAMIDO-PHENYLBENZAMIDE DERIVATIVES AND METHODS OF USING THE SAME ATHENEX, INC. (US) 2022-04-14 WO disclosed
US-20220106301-A1 ACETAMIDO-PHENYLBENZAMIDE DERIVATIVES AND METHODS OF USING THE SAME Health Hope Pharma Limited (HK) 2022-04-07 US disclosed
CN-111447927-A Naloxone transdermal drug delivery device and method of use thereof 帝国制药美国公司 2020-07-24 CN disclosed
US-9796708-B2 Pyrrolo [2,3-B] pyridine CDK9 kinase inhibitors ABBVIE INC. (US) 2017-10-24 US disclosed
WO-1992016526-A1 THIAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-10-01 WO disclosed
EP-0417751-A2 New thiazole derivatives, processes for the preparation thereof and pharmaceutical compositon comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-03-20 EP disclosed
EP-0355612-A2 Furylthiazole derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-02-28 EP disclosed
US-4735956-A Certain 1,4-dihydro-2,6-di-lower hydrocarbyl-4-heterocyclic-3,5-pyridine dicarboxylates which are useful as calcium channel blockers MERCK & CO., INC. (US) 1988-04-05 US disclosed
US-4497808-A N-Oxide compounds useful in the treatment of cardiovascular ailments CIBA-GEIGY CORPORATION (US) 1985-02-05 US disclosed
US-4002616-A POLYESTERS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-01-11 US disclosed
US-3962220-A ONE-STEP, AROMATIC ALDEHYDES, ACETIC ACID E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-06-08 US disclosed
US-3962221-A CONDENSATION, REDUCTION, OXIDATION E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-06-08 US disclosed