⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6129842 | 1.00 | — | — | |
| SCHEMBL792277 | 1.00 | — | — | |
| SCHEMBL6130387 | 0.98 | — | — | |
| SCHEMBL30400852 | 0.96 | ALDH1A1 (0.31) | — | |
| SCHEMBL890672 | 0.91 | ALDH1A1 (0.33) | — | |
| SCHEMBL15229676 | 0.89 | ALDH1A1 (0.32) | — | |
| SCHEMBL6129813 | 0.89 | ALDH1A1 (0.32) | — | |
| SCHEMBL10639641 | 0.89 | ALDH1A1 (0.32) | — | |
| SCHEMBL6286099 | 0.89 | ALDH1A1 (0.32) | — | |
| SCHEMBL6284822 | 0.89 | ALDH1A1 (0.32) | — |
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-0596485-B1 | Electrochemical process for preparing alcoholates of alkaline metal and use thereof for regenaration of the catalyst in the synthesis of methylformat | SALZGITTER ANLAGENBAU (DE) | 1996-01-03 | — | — | EP | claimed |