SCHEMBL128229

SCHEMBL128229

C[CH]OCCF

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
SCHEMBL9240960 0.81
SCHEMBL9117813 0.79
SCHEMBL9120187 0.77 APP (0.33)
SCHEMBL9121935 0.77
SCHEMBL1672769 0.73
SCHEMBL158670 0.73
SCHEMBL18577618 0.72
SCHEMBL10644 0.72
SCHEMBL59855 0.69
SCHEMBL854543 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170174632-A1 4-OXO-1, 4-DIHYDROQUINOLINE-3-CARBOXAMIDE AS SELECTIVE LIGAND FOR CANNABINOID RECEPTOR 2 FOR DIAGNOSIS AND THERAPY ETH ZURICH (CH) 2017-06-22 US claimed
EP-3166930-A1 4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXAMIDE AS SELECTIVE LIGAND FOR CANNABINOID RECEPTOR 2 FOR DIAGNOSIS AND THERAPY ETH Zürich (CH) 2017-05-17 EP claimed
WO-2016005419-A1 4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXAMIDE AS SELECTIVE LIGAND FOR CANNABINOID RECEPTOR 2 FOR DIAGNOSIS AND THERAPY ETH ZURICH (CH) 2016-01-14 WO claimed
EP-2966062-A1 4-oxo-1,4-dihydroquinoline-3-carboxamide as selective ligand for cannabinoid receptor 2 for diagnosis and therapy ETH Zurich (CH) 2016-01-13 EP claimed
US-9934911-B2 Nonaqueous electrolyte solution and electricity storage device using same UBE INDUSTRIES, LTD. (JP) 2018-04-03 US disclosed
EP-2970146-B1 ACYLAMINOCYCLOALKYL COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF DOPAMINE D3 RECEPTOR ABBVIE DEUTSCHLAND (DE) 2017-11-01 EP disclosed
US-20170174632-A1 4-OXO-1, 4-DIHYDROQUINOLINE-3-CARBOXAMIDE AS SELECTIVE LIGAND FOR CANNABINOID RECEPTOR 2 FOR DIAGNOSIS AND THERAPY ETH ZURICH (CH) 2017-06-22 US disclosed
EP-3030560-B1 BENZIMIDAZOLYL-METHYL UREA DERIVATIVES AS ALX RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2017-06-21 EP disclosed
US-9663473-B2 Benzimidazolyl-methyl urea derivatives as ALX receptor agonists ACTELION PHARMACEUTICALS LTD. (CH) 2017-05-30 US disclosed
EP-3166930-A1 4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXAMIDE AS SELECTIVE LIGAND FOR CANNABINOID RECEPTOR 2 FOR DIAGNOSIS AND THERAPY ETH Zürich (CH) 2017-05-17 EP disclosed
EP-2909201-B1 ACYLAMINOCYCLOALKYL COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF DOPAMINE D3 RECEPTOR ABBVIE DEUTSCHLAND (DE) 2017-02-22 EP disclosed
US-20160200686-A1 BENZIMIDAZOLYL-METHYL UREA DERIVATIVES AS ALX RECEPTOR AGONISTS IDORSIA PHARMACEUTICALS LTD (CH) 2016-07-14 US disclosed
WO-2006134111-A1 SPIRO-BENZIMIDAZOLES AS INHIBITORS OF GASTRIC ACID SECRETION NYCOMED GMBH (DE) 2006-12-21 WO disclosed
WO-2006134112-A1 SPIRO-IMIDAZNAPHTHYRIDINE DERIVATIVES AS GASTRIC ACID SECRETION INHIBITORS NYCOMED GMBH (DE) 2006-12-21 WO disclosed
WO-2006040338-A1 DIFLUORO-SUBSTITUTED IMIDAZOPYRIDINES ALTANA PHARMA AG (DE) 2006-04-20 WO disclosed
WO-1996005185-A1 NOVEL ALKYLAMINO DERIVATIVES AS SIGMA 2 SELECTIVE LIGANDS MITSUBISHI CHEMICAL CORPORATION (JP) 1996-02-22 WO disclosed
EP-0338424-B1 N-((6-trifluoromethylpyrimidin-2-yl)-aminocarbonyl)-2-carboalkoxy-benzenesulfonamides, process for their preparation and their use BASF AG (DE) 1993-11-24 EP disclosed
US-5143538-A Sulfonyl urea herbicides WESTPHALEN KARL OTTO (DE) 1992-09-01 US disclosed
US-5069710-A PRE-AND POSTEMERGENCE HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1991-12-03 US disclosed
EP-0338424-A2 N-((6-trifluoromethylpyrimidin-2-yl)-aminocarbonyl)-2-carboalkoxy-benzenesulfonamides, process for their preparation and their use BASF Aktiengesellschaft (DE) 1989-10-25 EP disclosed