⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8352648 | 0.88 | — | — | |
| SCHEMBL13652356 | 0.77 | — | — | |
| SCHEMBL4735965 | 0.75 | — | — | |
| SCHEMBL9971222 | 0.74 | POLB (0.33) | — | |
| SCHEMBL6538697 | 0.74 | — | — | |
| SCHEMBL29321212 | 0.72 | CYP19A1 (0.34) | — | |
| SCHEMBL20610559 | 0.72 | TAS2R46 (0.36) | — | |
| SCHEMBL1291768 | 0.72 | TAS2R46 (0.36) | — | |
| SCHEMBL17633051 | 0.72 | TAS2R46 (0.36) | — | |
| SCHEMBL13349585 | 0.72 | TRIM24 (0.30) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3853199-B1 | 2-(5-ISOPROPYL-2-METHYL-CYCLOHEX-2-EN-1-YL-) ACETALDEHYDE AND 2-(6-ISOPROPYL-3-METHYL-CYCLOHEX-2-EN-1-YL-) ACETALDEHYDE AS NEW ODORANTS | SYMRISE AG (DE) | 2023-10-25 | — | — | EP | disclosed |
| WO-2020057741-A1 | 2-(5-ISOPROPYL-2-METHYL-CYCLOHEX-2-EN-1-YL-) ACETALDEHYDE AND 2-(6-ISOPROPYL-3-METHYL-CYCLOHEX-2-EN-1-YL-) ACETALDEHYDE AS NEW ODORANTS | SYMRISE AG (DE) | 2020-03-26 | — | — | WO | disclosed |
| CN-1122600-A | Inhibitors of second messenger cell signaling | CELL THERAPEUTICS INC (US) | 1996-05-15 | — | — | CN | disclosed |