⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL272864 | 0.95 | — | — | |
| SCHEMBL6594209 | 0.77 | — | — | |
| SCHEMBL6594206 | 0.77 | — | — | |
| SCHEMBL13404626 | 0.75 | — | — | |
| SCHEMBL3235116 | 0.74 | — | — | |
| SCHEMBL9493578 | 0.72 | — | — | |
| SCHEMBL6215732 | 0.72 | TRPA1 (0.31) | — | |
| SCHEMBL1521436 | 0.71 | — | — | |
| SCHEMBL7391212 | 0.71 | — | — | |
| Ethylene SCHEMBL4453706 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0412551-A2 | Process for producing alpha, beta-unsaturated aldehyde | KURARAY CO., LTD. (JP) | 1991-02-13 | — | — | EP | disclosed |