⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21963690 | 0.73 | APLNR (0.32) | — | |
| SCHEMBL24119156 | 0.73 | APLNR (0.32) | — | |
| SCHEMBL21963687 | 0.73 | APLNR (0.32) | — | |
| SCHEMBL24119157 | 0.73 | APLNR (0.32) | — | |
| SCHEMBL27439074 | 0.73 | APLNR (0.32) | — | |
| SCHEMBL23036708 | 0.70 | — | — | |
| SCHEMBL22011724 | 0.70 | — | — | |
| SCHEMBL22011600 | 0.70 | — | — | |
| SCHEMBL18105746 | 0.67 | PTPN1 (0.33) | — | |
| SCHEMBL12167079 | 0.67 | PTPN1 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210395639-A1 | SYNTHESIS AND USE OF 2-ETHYL-5,5-DIMETHYL-CYCLOHEXANOL AS FRAGRANCE AND FLAVOR MATERIAL | SYMRISE AG (DE) | 2021-12-23 | — | — | US | claimed |
| EP-3681463-B1 | SYNTHESIS AND USE OF 2-ETHYL-5,5-DIMETHYL-CYCLOHEXANOL AS FRAGRANCE AND FLAVOR MATERIAL | SYMRISE AG (DE) | 2021-03-03 | — | — | EP | claimed |
| US-11946019-B2 | Synthesis and use of 2-ethyl-5,5-dimethyl-cyclohexanol as fragrance and flavor material | SYMRISE AG (DE) | 2024-04-02 | — | — | US | disclosed |
| US-20210395639-A1 | SYNTHESIS AND USE OF 2-ETHYL-5,5-DIMETHYL-CYCLOHEXANOL AS FRAGRANCE AND FLAVOR MATERIAL | SYMRISE AG (DE) | 2021-12-23 | — | — | US | disclosed |