⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25395023 | 1.00 | — | — | |
| SCHEMBL29501681 | 1.00 | — | — | |
| SCHEMBL30599551 | 1.00 | — | — | |
| SCHEMBL29501709 | 0.89 | — | — | |
| SCHEMBL28988243 | 0.89 | — | — | |
| SCHEMBL25393859 | 0.88 | — | — | |
| SCHEMBL31074271 | 0.71 | — | — | |
| SCHEMBL28455580 | 0.71 | DEGS1 (0.30) | — | |
| SCHEMBL6757987 | 0.70 | TRPA1 (0.32) | — | |
| SCHEMBL24618836 | 0.70 | TRPA1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4153552-A2 | PROCESS AND INTERMEDIATES FOR PREPARING 3-(CYCLOHEX-1-EN-1-YL) PROPANAL DERIVATIVES | Firmenich SA (CH) | 2023-03-29 | — | — | EP | disclosed |
| WO-2022049036-A2 | PROCESS FOR PREPARING 3-(CYCLOHEX-1-EN-1-YL)PROPANAL DERIVATIVES | FIRMENICH SA (CH) | 2022-03-10 | — | — | WO | disclosed |