⚠ 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL8336070 | 0.87 | FTO (0.32) | — | |
| SCHEMBL12986496 | 0.82 | FTO (0.43) | — | |
| SCHEMBL4295455 | 0.72 | — | — | |
| SCHEMBL7969779 | 0.70 | — | — | |
| SCHEMBL7971304 | 0.68 | — | — | |
| SCHEMBL3705213 | 0.67 | FTO (0.44) | — | |
| SCHEMBL3656489 | 0.64 | FTO (0.44) | — | |
| SCHEMBL408340 | 0.62 | MAPT (0.64) | — | |
| SCHEMBL7959704 | 0.62 | FTO (0.38) | — | |
| SCHEMBL30218785 | 0.62 | MAPT (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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3094318-B1 | NOVEL FUNCTIONALIZED 1,3-BENZENE DIOLS AND THEIR METHOD OF USE FOR THE TREATMENT OF HEPATIC ENCEPHALOPATHY | KANNALIFE SCIENCES INC (US) | 2020-02-19 | — | — | EP | disclosed |
| US-10004722-B2 | Method for treating hepatic encephalopathy or a disease associated with free radical mediate stress and oxidative stress with novel functionalized 1,3-benzene diols | KANNALIFE SCIENCES, INC. (US) | 2018-06-26 | — | — | US | disclosed |
| US-20170157097-A1 | METHOD FOR TREATING HEPATIC ENCEPHALOPATHY OR A DISEASE ASSOCIATED WITH FREE RADICAL MEDIATE STRESS AND OXIDATIVE STRESS WITH NOVEL FUNCTIONALIZED 1,3-BENZENE DIOLS | KANNALIFE SCIENCES, INC. | 2017-06-08 | — | — | US | disclosed |
| US-9611213-B2 | Functionalized 1,3-benzene diols and their method of use for the treatment of hepatic encephalopathy | KANNALIFE SCIENCES, INC. (US) | 2017-04-04 | — | — | US | disclosed |
| EP-3094318-A2 | NOVEL FUNCTIONALIZED 1,3-BENZENE DIOLS AND THEIR METHOD OF USE FOR THE TREATMENT OF HEPATIC ENCEPHALOPATHY | Kannalife, Inc. (US) | 2016-11-23 | — | — | EP | disclosed |
| US-20160311769-A1 | NOVEL FUNCTIONALIZED 1,3-BENZENE DIOLS AND THEIR METHOD OF USE FOR THE TREATMENT OF HEPATIC ENCEPHALOPTHY | KANNALIFE SCIENCES, INC. | 2016-10-27 | — | — | US | disclosed |
| WO-2015106108-A2 | NOVEL FUNCTIONALIZED 1,3-BENZENE DIOLS AND THEIR METHOD OF USE FOR THE TREATMENT OF HEPATIC ENCEPHALOPATHY | KANNALIFE, INC. (US) | 2015-07-16 | — | — | WO | disclosed |
| US-20130253022-A1 | NOVEL FLUORINATED SULFAMIDES EXHIBITING NEUROPROTECTIVE ACTION AND THEIR METHOD OF USE | FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) | 2013-09-26 | — | — | US | disclosed |
| WO-2012074784-A2 | NOVEL FLUORINATED SULFAMIDES EXHIBITING NEUROPROTECTIVE ACTION AND THEIR METHOD OF USE | ADVANCED NEURAL DYNAMICS, INC. (US) | 2012-06-07 | — | — | WO | disclosed |
| WO-2009059244-A2 | CELL-BASED ANTIOXIDANT PROTECTION ASSAY | NATURAL IMMUNE SYSTEMS, INC. (US) | 2009-05-07 | — | — | WO | disclosed |
| US-20080187502-A1 | ASSESSMENT AND MITIGATION OF OXIDATIVE STRESS IN SKIN | GARAY MICHELLE | 2008-08-07 | — | — | US | disclosed |
| EP-1953548-A2 | Assessment and mitigation of oxidative stress in skin | Johnson & Johnson Consumer Companies, Inc. (US) | 2008-08-06 | — | — | EP | disclosed |