⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15418833 | 0.81 | — | — | |
| SCHEMBL12928642 | 0.76 | — | — | |
| SCHEMBL12826109 | 0.76 | — | — | |
| SCHEMBL13649362 | 0.76 | — | — | |
| SCHEMBL13649367 | 0.76 | — | — | |
| SCHEMBL1072178 | 0.76 | — | — | |
| SCHEMBL15418748 | 0.72 | DNTT (0.36) | — | |
| SCHEMBL15418337 | 0.72 | — | — | |
| SCHEMBL15418617 | 0.70 | — | — | |
| SCHEMBL15418609 | 0.70 | DNTT (0.33) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2687586-B1 | Use of defined cyclohexenones as a means for the additive reinforcement of a smell impression and composition of aromas and/or tastes | SYMRISE AG (DE) | 2016-11-23 | — | — | EP | claimed |
| US-20140023770-A1 | Use Of Defined Cyclohexenones As Agents For The Superadditive Enhancement Of An Olfactory Impression And Fragrance And/Or Flavor Material Composition | SYMRISE AG (DE) | 2014-01-23 | — | — | US | claimed |
| EP-2687586-A1 | Use of defined cyclohexenones as a means for the additive reinforcement of a smell impression and composition of aromas and/or tastes | Symrise AG (DE) | 2014-01-22 | — | — | EP | claimed |
| EP-2687586-B1 | Use of defined cyclohexenones as a means for the additive reinforcement of a smell impression and composition of aromas and/or tastes | SYMRISE AG (DE) | 2016-11-23 | — | — | EP | disclosed |
| EP-2687586-B1 | Use of defined cyclohexenones as a means for the additive reinforcement of a smell impression and composition of aromas and/or tastes | SYMRISE AG (DE) | 2016-11-23 | — | — | EP | disclosed |
| US-20140023770-A1 | Use Of Defined Cyclohexenones As Agents For The Superadditive Enhancement Of An Olfactory Impression And Fragrance And/Or Flavor Material Composition | SYMRISE AG (DE) | 2014-01-23 | — | — | US | disclosed |
| US-20140023770-A1 | Use Of Defined Cyclohexenones As Agents For The Superadditive Enhancement Of An Olfactory Impression And Fragrance And/Or Flavor Material Composition | SYMRISE AG (DE) | 2014-01-23 | — | — | US | disclosed |
| US-20140023770-A1 | Use Of Defined Cyclohexenones As Agents For The Superadditive Enhancement Of An Olfactory Impression And Fragrance And/Or Flavor Material Composition | SYMRISE AG (DE) | 2014-01-23 | — | — | US | disclosed |
| EP-2687586-A1 | Use of defined cyclohexenones as a means for the additive reinforcement of a smell impression and composition of aromas and/or tastes | Symrise AG (DE) | 2014-01-22 | — | — | EP | disclosed |
| EP-2687586-A1 | Use of defined cyclohexenones as a means for the additive reinforcement of a smell impression and composition of aromas and/or tastes | Symrise AG (DE) | 2014-01-22 | — | — | EP | disclosed |