⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22699316 | 0.83 | — | — | |
| SCHEMBL4846985 | 0.83 | — | — | |
| SCHEMBL4854153 | 0.83 | — | — | |
| SCHEMBL10033590 | 0.83 | — | — | |
| SCHEMBL20223427 | 0.83 | — | — | |
| SCHEMBL24565114 | 0.83 | — | — | |
| SCHEMBL23953575 | 0.80 | — | — | |
| SCHEMBL24565150 | 0.79 | ALOX15 (0.33) | — | |
| SCHEMBL23953581 | 0.75 | — | — | |
| SCHEMBL3289263 | 0.73 | ESR2 (0.32) | — |
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 |
| US-20220033338-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) | 2022-02-03 | — | — | US | 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 |