⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18812325 | 0.72 | CA1 (0.32) | — | |
| SCHEMBL22924483 | 0.72 | — | — | |
| SCHEMBL1783254 | 0.68 | — | — | |
| SCHEMBL791134 | 0.62 | — | — | |
| SCHEMBL10048279 | 0.62 | — | — | |
| SCHEMBL16315458 | 0.62 | — | — | |
| SCHEMBL717556 | 0.62 | — | — | |
| SCHEMBL12385559 | 0.61 | — | — | |
| SCHEMBL13183445 | 0.60 | — | — | |
| SCHEMBL6740799 | 0.60 | — | — |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-3980708-A | OXIDIZING BETA-IONONE WITH HYDROGEN PEROXIDE IN A BASE | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1976-09-14 | — | — | US | claimed |
| US-4055506-A | SOAP, 2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YLACETALDEHYDE | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1977-10-25 | — | — | US | disclosed |
| US-4055506-A | SOAP, 2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YLACETALDEHYDE | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1977-10-25 | — | — | US | disclosed |
| US-4036774-A | Fragrant soap compositions containing alpha-substituted acetaldehyde and ketone | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1977-07-19 | — | — | US | disclosed |
| US-4036774-A | Fragrant soap compositions containing alpha-substituted acetaldehyde and ketone | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1977-07-19 | — | — | US | disclosed |
| US-4028279-A | Novel fragrance compositions containing 2,6,6 trimethyl-1-cyclohexen-1-yl acetaldehyde and phenyl C6 ketone | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1977-06-07 | — | — | US | disclosed |
| US-4028279-A | Novel fragrance compositions containing 2,6,6 trimethyl-1-cyclohexen-1-yl acetaldehyde and phenyl C6 ketone | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1977-06-07 | — | — | US | disclosed |
| US-4026824-A | COLOGNES | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1977-05-31 | — | — | US | disclosed |
| US-4026824-A | COLOGNES | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1977-05-31 | — | — | US | disclosed |
| US-4014351-A | Novel tobacco flavoring and aroma compositions and tobaccos containing alpha-substituted acetaldehyde | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1977-03-29 | — | — | US | disclosed |
| US-4014351-A | Novel tobacco flavoring and aroma compositions and tobaccos containing alpha-substituted acetaldehyde | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1977-03-29 | — | — | US | disclosed |
| US-3994936-A | Catalytic rearrangement | HOFFMANN-LA ROCHE INC. (US) | 1976-11-30 | — | — | US | disclosed |
| US-3980708-A | OXIDIZING BETA-IONONE WITH HYDROGEN PEROXIDE IN A BASE | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1976-09-14 | — | — | US | disclosed |
| US-3959508-A | Flavoring compositions containing mixture of 2,2,6-trimethyl-1-cyclohexen-1-ylacetaldehyde and 2,6,6-trimethyl-1-crotonyl-1,3-cyclohexadiene | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1976-05-25 | — | — | US | disclosed |
| US-3959508-A | Flavoring compositions containing mixture of 2,2,6-trimethyl-1-cyclohexen-1-ylacetaldehyde and 2,6,6-trimethyl-1-crotonyl-1,3-cyclohexadiene | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1976-05-25 | — | — | US | disclosed |
| US-3959508-A | Flavoring compositions containing mixture of 2,2,6-trimethyl-1-cyclohexen-1-ylacetaldehyde and 2,6,6-trimethyl-1-crotonyl-1,3-cyclohexadiene | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1976-05-25 | — | — | US | disclosed |
| US-3956393-A | PERALKANOIC ACID, HYDROLYSIS | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1976-05-11 | — | — | US | disclosed |
| US-3940499-A | Food or flavor containing 2,6,6-trimethyl-1-cyclohexen-1-ylacetaldehyde | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1976-02-24 | — | — | US | disclosed |
| US-3940499-A | Food or flavor containing 2,6,6-trimethyl-1-cyclohexen-1-ylacetaldehyde | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1976-02-24 | — | — | US | disclosed |