⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10976018 | 1.00 | — | — | |
| SCHEMBL10457185 | 0.91 | — | — | |
| SCHEMBL10457183 | 0.91 | — | — | |
| SCHEMBL10457350 | 0.85 | TSHR (0.35) | — | |
| SCHEMBL28490354 | 0.85 | TSHR (0.35) | — | |
| SCHEMBL30637711 | 0.85 | TSHR (0.35) | — | |
| SCHEMBL10457351 | 0.85 | TSHR (0.35) | — | |
| SCHEMBL10457352 | 0.77 | — | — | |
| SCHEMBL10457354 | 0.77 | — | — | |
| SCHEMBL10456113 | 0.70 | METAP1 (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-0086944-B1 | UNSATURATED ETHERS, PROCESS FOR THEIR PREPARATION, USE OF THESE ETHERS AS FRAGRANCES, AND FLAVOURING COMPOSITIONS CONTAINING THESE ETHERS | L. GIVAUDAN & CIE Société Anonyme (CH) | 1985-04-10 | — | — | EP | disclosed |
| EP-0086944-A1 | Unsaturated ethers, process for their preparation, use of these ethers as fragrances, and flavouring compositions containing these ethers | L. GIVAUDAN & CIE Société Anonyme (CH) | 1983-08-31 | — | — | EP | disclosed |