⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1936962 | 0.66 | — | — | |
| SCHEMBL352459 | 0.61 | — | — | |
| SCHEMBL1936995 | 0.57 | — | — | |
| SCHEMBL16634400 | 0.53 | — | — | |
| SCHEMBL7685028 | 0.53 | — | — | |
| Dimethoxymethane SCHEMBL1614864 | 0.53 | ALDH1A1 (0.30) | — | |
| SCHEMBL5072378 | 0.53 | PKM (0.33) | — | |
| SCHEMBL4912273 | 0.50 | — | — | |
| SCHEMBL542247 | 0.50 | — | — | |
| Methoxymethane SCHEMBL5955386 | 0.48 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0118120-A2 | 1,4-Dihydropyridine compound | NIKKEN CHEMICALS CO., LTD. (JP) | 1984-09-12 | — | — | EP | claimed |
| EP-0118120-A2 | 1,4-Dihydropyridine compound | NIKKEN CHEMICALS CO., LTD. (JP) | 1984-09-12 | — | — | EP | disclosed |
| EP-0118120-A2 | 1,4-Dihydropyridine compound | NIKKEN CHEMICALS CO., LTD. (JP) | 1984-09-12 | — | — | EP | disclosed |