⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL634409 | 1.00 | — | — | |
| SCHEMBL634411 | 1.00 | — | — | |
| SCHEMBL6243077 | 0.78 | — | — | |
| SCHEMBL2801704 | 0.78 | — | — | |
| SCHEMBL3089364 | 0.78 | — | — | |
| SCHEMBL2681109 | 0.78 | — | — | |
| SCHEMBL6243079 | 0.78 | — | — | |
| SCHEMBL3089367 | 0.78 | — | — | |
| SCHEMBL3521130 | 0.67 | — | — | |
| SCHEMBL2055568 | 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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1163029-B1 | NITRATE ESTERS AND THEIR USE FOR INDUCING NEUROPROTECTION AND COGNITION ENHANCEMENT | UNIV KINGSTON (CA) | 2012-02-22 | — | — | EP | disclosed |
| US-20070066575-A1 | Methods and compositions for mitigating pain | QUEEN'S UNIVERSITY AT KINGSTON (CA) | 2007-03-22 | — | — | US | disclosed |
| US-7115661-B1 | Methods and compositions for mitigating pain | QUEEN'S UNIVERSITY AT KINGSTON (CA) | 2006-10-03 | — | — | US | disclosed |
| US-6916835-B2 | Nitrate esters and their use for neurological conditions | QUEEN'S UNINVERSITY AT KINGSTON (CA) | 2005-07-12 | — | — | US | disclosed |
| EP-1518553-A2 | Use of nitrate ester compounds for treating pain or providing analgesia | QUEEN'S UNIVERSITY AT KINGSTON (CA) | 2005-03-30 | — | — | EP | disclosed |
| EP-1246625-B1 | USES AND COMPOSITIONS OF NITRATE ESTERS FOR PROVIDING SEDATION | UNIV KINGSTON (CA) | 2004-12-01 | — | — | EP | disclosed |
| US-6677374-B2 | NERVOUS SYSTEM DISORDERS | QUEEN'S UNIVERSITY AT KINGSTON (CA) | 2004-01-13 | — | — | US | disclosed |
| US-20020177622-A1 | Nitrate esters and their use for neurological conditions | QUEEN'S UNIVERSITY AT KINGSTON (CA) | 2002-11-28 | — | — | US | disclosed |
| US-20020147234-A1 | Nitrate esters and methods of making same | QUEEN'S UNIVERSITY AT KINGSTON (CA) | 2002-10-10 | — | — | US | disclosed |
| EP-1246625-A2 | METHODS AND COMPOSITIONS FOR MITIGATING PAIN USING NITRATE ESTERS | QUEEN'S UNIVERSITY AT KINGSTON (CA) | 2002-10-09 | — | — | EP | disclosed |
| US-6365579-B2 | MITIGATING NEURODEGENERATION, EFFECTING NEUROPROTECTION AND/OR EFFECTING COGNITION ENHANCEMENT | QUEEN'S UNIVERSITY AT KINGSTON (CA) | 2002-04-02 | — | — | US | disclosed |
| US-20020016311-A1 | Nitrate esters and their use for neurological conditions | QUEEN'S UNIVERSITY AT KINGSTON (CA) | 2002-02-07 | — | — | US | disclosed |
| US-6310052-B1 | TREATING ISCHEMIA BY ADMINISTERING A NITRATE ESTER OF GIVEN FORMULA | QUEEN'S UNIVERSITY AT KINGSTON (CA) | 2001-10-30 | — | — | US | disclosed |
| WO-2001049275-A2 | METHODS AND COMPOSITIONS FOR MITIGATING PAIN USING NITRATE ESTERS | QUEEN'S UNIVERSITY AT KINGSTON (CA) | 2001-07-12 | — | — | WO | disclosed |