⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10654598 | 0.84 | — | — | |
| SCHEMBL7285717 | 0.82 | ADH1B (0.47) | — | |
| 2-Methylpentanal SCHEMBL7749332 | 0.77 | TSHR (0.40) | — | |
| 2-Methylpentanal SCHEMBL3235073 | 0.77 | — | — | |
| 2-Methylpentanal SCHEMBL1939674 | 0.77 | — | — | |
| 2-Methylpentanal SCHEMBL43746 | 0.77 | — | — | |
| 2-Methylpentanal SCHEMBL8460784 | 0.74 | — | — | |
| 2-Methylpentanal SCHEMBL10787186 | 0.74 | — | — | |
| 2-Methylpentanal SCHEMBL10629917 | 0.74 | — | — | |
| 2-Methylpentanal SCHEMBL10632071 | 0.74 | — | — |
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-0276552-A1 | 1,4-dihydropyridine derivatives and their production | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 1988-08-03 | — | — | EP | disclosed |