⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26653990 | 1.00 | — | — | |
| SCHEMBL26653991 | 1.00 | — | — | |
| SCHEMBL29501689 | 0.92 | EP300 (0.32) | — | |
| SCHEMBL28988239 | 0.92 | — | — | |
| SCHEMBL28988266 | 0.78 | — | — | |
| SCHEMBL30482294 | 0.78 | — | — | |
| SCHEMBL30482291 | 0.76 | — | — | |
| SCHEMBL28988229 | 0.74 | ALDH1A1 (0.35) | — | |
| SCHEMBL5046445 | 0.73 | — | — | |
| SCHEMBL11655610 | 0.72 | — | — |
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 |