⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25647890 | 0.91 | — | — | |
| SCHEMBL16943592 | 0.91 | — | — | |
| Ammonia Solution, Strong SCHEMBL28354363 | 0.79 | EPHX2 (0.36) | — | |
| Hydrogen Sulfide SCHEMBL5678761 | 0.79 | EPHX2 (0.36) | — | |
| SCHEMBL16369443 | 0.78 | EPHX2 (0.30) | — | |
| Water SCHEMBL10821932 | 0.77 | EPHX2 (0.34) | — | |
| SCHEMBL18969298 | 0.77 | — | — | |
| SCHEMBL1859180 | 0.76 | — | — | |
| SCHEMBL13406681 | 0.76 | — | — | |
| SCHEMBL16221642 | 0.76 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2025108540-A1 | 5-METHYLCYCLOHEXANOLS AND DERIVATIVES AS FRAGRANCES | SYMRISE AG (DE) | 2025-05-30 | — | — | WO | disclosed |