⚠ 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 | |
|---|---|---|---|---|
| Hydrogen Peroxide SCHEMBL1819083 | 0.87 | — | — | |
| Hydrogen Peroxide SCHEMBL57478 | 0.87 | — | — | |
| Hydrogen Peroxide SCHEMBL11595001 | 0.87 | — | — | |
| Hydrogen Peroxide SCHEMBL1198861 | 0.87 | — | — | |
| Hydrogen Peroxide SCHEMBL22534463 | 0.87 | — | — | |
| Hydrogen Peroxide SCHEMBL2338505 | 0.87 | — | — | |
| Bicarbonate SCHEMBL27943845 | 0.76 | — | — | |
| Hydrogen Peroxide SCHEMBL11305571 | 0.75 | — | — | |
| Hydrogen Peroxide SCHEMBL6049906 | 0.75 | — | — | |
| Hydrogen Peroxide SCHEMBL7208812 | 0.75 | — | — |
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-0015653-B1 | ALDOL COMPOUNDS, THEIR PRODUCTION AND THEIR USE IN THE PREPARATION OF METHANOPROSTACYCLIN | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1982-01-27 | — | — | EP | disclosed |
| US-4292432-A | Novel aldol derivatives and production thereof | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1981-09-29 | — | — | US | disclosed |
| EP-0015653-A1 | Aldol compounds, their production and their use in the preparation of methanoprostacyclin | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1980-09-17 | — | — | EP | disclosed |