⚠ 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 | |
|---|---|---|---|---|
| Isobutane SCHEMBL9743529 | 0.80 | — | — | |
| SCHEMBL23671 | 0.79 | — | — | |
| SCHEMBL1023591 | 0.79 | — | — | |
| Dimethylamine SCHEMBL7893155 | 0.75 | — | — | |
| Dimethylamine SCHEMBL9854037 | 0.75 | ALDH1A1 (0.56) | — | |
| Dimethylamine SCHEMBL28098217 | 0.75 | ALDH1A1 (0.56) | — | |
| 2,2,3-Trimethylbutane SCHEMBL28055462 | 0.75 | ALDH1A1 (0.33) | — | |
| SCHEMBL23116585 | 0.72 | — | — | |
| Methane SCHEMBL21176807 | 0.72 | — | — | |
| SCHEMBL22638001 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4810607-A | DURABILITY | CANON KABUSHIKI KAISHA (JP) | 1989-03-07 | — | — | US | disclosed |