⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL442745 | 0.68 | ALDH1A1 (0.33) | — | |
| SCHEMBL19277433 | 0.64 | — | — | |
| SCHEMBL17972855 | 0.64 | — | — | |
| SCHEMBL22563074 | 0.64 | CTSK (0.32) | — | |
| SCHEMBL26932418 | 0.63 | — | — | |
| SCHEMBL26932430 | 0.63 | LMNA (0.33) | — | |
| SCHEMBL26932417 | 0.61 | — | — | |
| SCHEMBL23671889 | 0.61 | TP53 (0.33) | — | |
| SCHEMBL21858904 | 0.61 | TP53 (0.33) | — | |
| SCHEMBL21858906 | 0.61 | TP53 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20250368597-A1 | PROCESS FOR THE INTRACYCLIC DOUBLE BOND ISOMERIZATION | FIRMENICH & CIE (CH) | 2025-12-04 | — | — | US | disclosed |
| EP-4536622-A1 | PROCESS FOR THE INTRACYCLIC DOUBLE BOND ISOMERIZATION | Firmenich SA (CH) | 2025-04-16 | — | — | EP | disclosed |
| WO-2023237600-A1 | PROCESS FOR THE INTRACYCLIC DOUBLE BOND ISOMERIZATION | FIRMENICH SA (CH) | 2023-12-14 | — | — | WO | disclosed |