⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21796222 | 1.00 | — | — | |
| SCHEMBL5696112 | 0.89 | — | — | |
| SCHEMBL5696113 | 0.89 | — | — | |
| SCHEMBL272972 | 0.78 | TRPA1 (0.35) | — | |
| SCHEMBL272973 | 0.78 | TRPA1 (0.35) | — | |
| SCHEMBL7146184 | 0.74 | — | — | |
| SCHEMBL2023605 | 0.74 | — | — | |
| Formic Acid SCHEMBL29017531 | 0.71 | BTN3A1 (0.34) | — | |
| SCHEMBL26132224 | 0.63 | ALDH1A1 (0.33) | — | |
| SCHEMBL15372492 | 0.62 | BTN3A1 (0.39) | — |
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-3873658-A1 | METHOD FOR PRODUCING MICROPARTICLES WHICH ARE CHARGED WITH AN ACTIVE MATERIAL | BASF SE (DE) | 2021-09-08 | — | — | EP | disclosed |
| EP-3853199-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) | 2021-07-28 | — | — | 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 |