⚠ 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 | |
|---|---|---|---|---|
| Lithium Ion SCHEMBL9128687 | 0.86 | — | — | |
| Methoxymethane SCHEMBL5707121 | 0.57 | — | — | |
| Methoxymethane SCHEMBL12190176 | 0.57 | — | — | |
| SCHEMBL13279661 | 0.57 | — | — | |
| Methoxymethane SCHEMBL16998540 | 0.57 | — | — | |
| Methoxymethane SCHEMBL868 | 0.57 | — | — | |
| SCHEMBL16237217 | 0.54 | — | — | |
| Methoxymethane SCHEMBL23803961 | 0.51 | — | — | |
| Methoxymethane SCHEMBL727682 | 0.51 | — | — | |
| Methoxymethane SCHEMBL1347303 | 0.51 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4914220-A | REACTING ALDEHYDE WITH IMINE LITHIUM SALT, ISOMERIZING, HYDROLYZING | MERCK & CO., INC. (US) | 1990-04-03 | — | — | US | disclosed |
| EP-0343709-A2 | Process for synthesis of E-2-methyl-alpha-beta-unsaturated aldehydes | MERCK & CO. INC. (US) | 1989-11-29 | — | — | EP | disclosed |