⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL468058 | 0.83 | TSHR (0.37) | — | |
| SCHEMBL28702490 | 0.83 | TSHR (0.37) | — | |
| Iodide SCHEMBL10567947 | 0.82 | TSHR (0.36) | — | |
| Water SCHEMBL28685341 | 0.82 | TSHR (0.36) | — | |
| Fluoride SCHEMBL22206791 | 0.80 | TSHR (0.32) | — | |
| Hydrochloric Acid SCHEMBL134284 | 0.80 | THRB (0.34) | — | |
| Bromide SCHEMBL22206792 | 0.80 | TSHR (0.32) | — | |
| SCHEMBL3449675 | 0.79 | BAZ2B (0.33) | — | |
| SCHEMBL12562736 | 0.79 | — | — | |
| SCHEMBL27531014 | 0.78 | — | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120114689-A1 | NICOTINAMIDE COMPOSITIONS FOR TREATMENT OF SKIN DISEASES AND DISORDERS | CORTRIA CORPORATION (US) | 2012-05-10 | — | — | US | claimed |
| US-20080112968-A1 | NICOTINAMIDE COMPOSITIONS FOR TREATMENT OF SKIN DISEASES AND DISORDERS | DERMENA (CA) | 2008-05-15 | — | — | US | claimed |
| US-8377972-B2 | Use of quaternary pyridinium compounds for vasoprotection and/or hepatoprotection | Trigendo Sp. zo.o. (PL) | 2013-02-19 | — | — | US | disclosed |
| CN-102127009-B | Substituted pyridine ionic liquid and application thereof | SINOCHEM CORP | 2012-08-29 | — | — | CN | disclosed |
| EP-2124946-B1 | THE USE OF N-METHYL PYRIDINIUM DERIVATIVES FOR HEPATOPROTECTION | HEPENDO SP Z O O (PL) | 2012-05-23 | — | — | EP | disclosed |
| US-20120114689-A1 | NICOTINAMIDE COMPOSITIONS FOR TREATMENT OF SKIN DISEASES AND DISORDERS | CORTRIA CORPORATION (US) | 2012-05-10 | — | — | US | disclosed |
| CN-102127009-A | Substituted pyridine ionic liquid and application thereof | SINOCHEN CORP | 2011-07-20 | — | — | CN | disclosed |
| US-20110118316-A1 | Use of Quaternary Pyridinium Compounds for Vasoprotection and/or Hepatoprotection | TRIGENDO SP. Z O.O. (PL) | 2011-05-19 | — | — | US | disclosed |
| US-7893095-B2 | Treatment or prevention of diseases or conditions associated with vascular endothelium dysfunction or liver injury; 1,4-dimethylpyridinium Chloride; diabetes, metabolic syndrome, atherosclerosis | TRIGENDO SP. Z O.O. (PL) | 2011-02-22 | — | — | US | disclosed |
| CN-1905875-B | The use of quaternary pyridinium salts as vasoprotective agents | PHARMENA SP Z O O | 2010-07-28 | — | — | CN | disclosed |
| EP-2181704-A2 | Drug delivery from rapid gelling polymer composition | ANGIOTECH INTERNATIONAL AG (CH) | 2010-05-05 | — | — | EP | disclosed |
| WO-2008062324-A2 | COMPOSITIONS COMPRISING NICOTINAMIDE AND WAKAME EXTRACT HAVING SKIN ANTI-AGING PROPERTIES | DERMENA (CA) | 2008-05-29 | — | — | WO | disclosed |
| US-20080112968-A1 | NICOTINAMIDE COMPOSITIONS FOR TREATMENT OF SKIN DISEASES AND DISORDERS | DERMENA (CA) | 2008-05-15 | — | — | US | disclosed |
| CN-1905875-A | The use of quaternary pyridinium salts as vasoprotective agents | PHARMENA SP Z O O (PL) | 2007-01-31 | — | — | CN | disclosed |