⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2843099 | 0.83 | — | — | |
| SCHEMBL2415647 | 0.83 | — | — | |
| SCHEMBL1476819 | 0.81 | — | — | |
| SCHEMBL10447818 | 0.79 | TSHR (0.41) | — | |
| SCHEMBL12533343 | 0.79 | — | — | |
| SCHEMBL1476397 | 0.78 | — | — | |
| SCHEMBL20686030 | 0.78 | ALDH1A1 (0.33) | — | |
| SCHEMBL25786845 | 0.76 | — | — | |
| SCHEMBL7952551 | 0.75 | LMNA (0.30) | — | |
| SCHEMBL17048682 | 0.75 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0451989-B1 | Etherification of gasoline | MOBIL OIL CORP (US) | 1994-08-10 | — | — | EP | disclosed |
| US-5080691-A | Hydration of olefins, etherification | MOBIL OIL CORP. (US) | 1992-01-14 | — | — | US | disclosed |
| US-5078751-A | High octane gasoline | MOBIL OIL CORPORATION (US) | 1992-01-07 | — | — | US | disclosed |
| EP-0454304-A1 | Process for the conversion of light olefins to ether-rich gasoline | MOBIL OIL CORPORATION (US) | 1991-10-30 | — | — | EP | disclosed |
| EP-0451989-A1 | Etherification of gasoline | MOBIL OIL CORPORATION (US) | 1991-10-16 | — | — | EP | disclosed |