SCHEMBL42512

SCHEMBL42512

CCCCNC([NH])=O

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
SCHEMBL294158 0.92
SCHEMBL7305201 0.90 EPHX1 (0.67)
SCHEMBL8930393 0.90 EPHX1 (0.67)
SCHEMBL292692 0.90 EPHX1 (0.67)
SCHEMBL7472317 0.90 EPHX1 (0.67)
SCHEMBL7300285 0.90 EPHX1 (0.67)
SCHEMBL10702251 0.90 EPHX1 (0.67)
SCHEMBL3842001 0.90 EPHX1 (0.67)
SCHEMBL4811184 0.90 EPHX1 (0.67)
SCHEMBL8355975 0.90 EPHX1 (0.67)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150322094-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2015-11-12 US claimed
WO-2011137331-A2 4-FLUORO-4-ARYLPIPERDIN-1-YL DERIVATIVES AS MU OPIOID FUNCTION MODERATORS KINENTIA BIOSCIENCES LLC (US) 2011-11-03 WO claimed
EP-2024359-A1 COMPOUNDS THAT ARE AGONISTS OF MUSCARINIC RECEPTORS AND THAT MAY BE EFFECTIVE IN TREATING PAIN, ALZHEIMER'S DECEASE AND/OR SCHIZOPHRENIA AstraZeneca AB (SE) 2009-02-18 EP claimed
WO-2007126362-A1 COMPOUNDS THAT ARE AGONISTS OF MUSCARINIC RECEPTORS AND THAT MAY BE EFFECTIVE IN TREATING PAIN, ALZHEIMER'S DISEASE AND/OR SCHIZOPHRENIA ASTRAZENECA AB (SE) 2007-11-08 WO claimed
US-20070259888-A1 Novel Compounds ASTRAZENECA AB (SE) 2007-11-08 US claimed
US-6410166-B1 Organic electroluminescence device doping device and organic electroluminescence device FUTABA CORPORATION (JP) 2002-06-25 US claimed
US-5866611-A PHENOXYPROPYLAMINE INHIBITORS OF SQUALENE SYNTHESE, USEFUL IN TREATING DISEASES IN WHICH A LOWERING OF CHOLESTEROL IS DESIRABLE. ZENECA LIMITED (GB) 1999-02-02 US claimed
EP-0675169-B1 Cationic thiadiazole dyes BAYER AG (DE) 1998-09-16 EP claimed
US-5580964-A USED FOR DYEING AND PRINTING PAPER IN LIGHTFAST SHADES, AS DICHROIC DYES FOR POLARIZING FILMS BAYER AKTIENGESELLSCHAFT (DE) 1996-12-03 US claimed
EP-0675169-A2 Cationic thiadiazole dyes BAYER AG (DE) 1995-10-04 EP claimed
EP-0589018-A1 AMINES AS INHIBITORS OF SQUALENE SYNTHASE ZENECA LIMITED (GB) 1994-03-30 EP claimed
WO-1993020807-A1 AMINES AS INHIBITORS OF SQUALENE SYNTHASE ZENECA LIMITED (GB) 1993-10-28 WO claimed
EP-0208022-B1 YELLOW DYE-RELEASING AZO COMPOUNDS FOR USE IN THE PRODUCTION OF DIFFUSION TRANSFER COLOUR IMAGES AGFA-GEVAERT N.V. (BE) 1989-05-17 EP claimed
US-4748108-A Yellow dye-releasing azo compounds for use in the production of diffusion transfer color images AGFA-GEVAERT, N.V. (BE) 1988-05-31 US claimed
EP-0208022-A1 Yellow dye-releasing azo compounds for use in the production of diffusion transfer colour images AGFA-GEVAERT N.V. (BE) 1987-01-14 EP claimed
US-4387099-A Alkanolamine derivatives IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1983-06-07 US claimed
US-4327113-A DRUGS FOR TREATMENT OF HEART DISEASES, ADRENERGIC BLOCKING AGENTS, ETC IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1982-04-27 US claimed
US-4260632-A ADRENERGIC BLOCKING AGENTS, CARDIOVASCULAR DISORDERS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1981-04-07 US claimed
US-4221807-A ADRENERGIC BLOCKING AGENTS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1980-09-09 US claimed
US-4141987-A HYPOTENSIVE, ADRENERGIC BLOCKING AGENT IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-02-27 US claimed