⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3132149 | 0.73 | — | — | |
| SCHEMBL18797488 | 0.63 | — | — | |
| SCHEMBL4582773 | 0.61 | — | — | |
| SCHEMBL32689232 | 0.58 | TSHR (0.35) | — | |
| SCHEMBL2702124 | 0.56 | — | — | |
| SCHEMBL3355356 | 0.56 | — | — | |
| SCHEMBL6223555 | 0.56 | ALDH1A1 (0.32) | — | |
| SCHEMBL17816511 | 0.55 | CNR2 (0.59) | — | |
| SCHEMBL4428185 | 0.53 | — | — | |
| SCHEMBL22412175 | 0.53 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-118369306-A | Enol ether pro-fragrances | 弗门尼舍有限公司 | 2024-07-19 | — | — | CN | disclosed |