⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4017133 | 0.91 | ALDH1A1 (0.30) | — | |
| SCHEMBL4024419 | 0.91 | — | — | |
| SCHEMBL2163809 | 0.84 | ALDH1A1 (0.32) | — | |
| SCHEMBL9981148 | 0.83 | — | — | |
| SCHEMBL9981136 | 0.83 | — | — | |
| SCHEMBL29502684 | 0.79 | — | — | |
| SCHEMBL2172510 | 0.79 | — | — | |
| SCHEMBL4024401 | 0.77 | — | — | |
| SCHEMBL2002303 | 0.74 | — | — | |
| SCHEMBL4026070 | 0.73 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5254742-A | Dimerizing 2-propenal in presence of organoruthenium compound | MITSUBISHI PETROCHEMICAL CO., LTD. (JP) | 1993-10-19 | — | — | US | claimed |
| US-5254742-A | Dimerizing 2-propenal in presence of organoruthenium compound | MITSUBISHI PETROCHEMICAL CO., LTD. (JP) | 1993-10-19 | — | — | US | disclosed |
| EP-0537625-A2 | Process for preparing 2-hexene-1,6-dial | MITSUBISHI CHEMICAL CORPORATION (JP) | 1993-04-21 | — | — | EP | disclosed |