⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3021892 | 0.77 | — | — | |
| 2-Methylbutanal SCHEMBL27567738 | 0.75 | TSHR (0.36) | — | |
| SCHEMBL6084039 | 0.75 | — | — | |
| SCHEMBL3031861 | 0.72 | — | — | |
| 2-Methylbutanal SCHEMBL3485198 | 0.72 | — | — | |
| 2-Methylbutanal SCHEMBL43412 | 0.72 | — | — | |
| 2-Methylbutanal SCHEMBL933421 | 0.72 | — | — | |
| 2-Methylbutanal SCHEMBL29210931 | 0.72 | TSHR (0.38) | — | |
| 2-Methylbutanal SCHEMBL5007611 | 0.69 | — | — | |
| 2-Methylbutanal SCHEMBL976585 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7071359-B1 | Neuropathy improvers containing nitrogenous compounds as the active ingredient | TEIJIN LIMITED (JP) | 2006-07-04 | — | — | US | disclosed |
| EP-1201235-B1 | NEUROPATHY IMPROVERS CONTAINING NITROGENOUS COMPOUNDS AS THE ACTIVE INGREDIENT | TEIJIN LTD (JP) | 2005-10-12 | — | — | EP | disclosed |
| EP-1201235-A1 | NEUROPATHY IMPROVERS CONTAINING NITROGENOUS COMPOUNDS AS THE ACTIVE INGREDIENT | TEIJIN LIMITED (JP) | 2002-05-02 | — | — | EP | disclosed |