⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9720154 | 0.79 | ALDH1A1 (0.42) | — | |
| SCHEMBL7269472 | 0.79 | — | — | |
| SCHEMBL50349 | 0.79 | — | — | |
| Methane SCHEMBL11115500 | 0.77 | — | — | |
| SCHEMBL2131155 | 0.75 | — | — | |
| SCHEMBL2805782 | 0.75 | — | — | |
| SCHEMBL28823496 | 0.74 | — | — | |
| Hydrogen Sulfide SCHEMBL11777081 | 0.73 | — | — | |
| SCHEMBL51987 | 0.73 | — | — | |
| Iodide SCHEMBL11585247 | 0.73 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115057878-B | Main chain polyester type oligomeric porphyrin metal complex and preparation method and application thereof | 中国科学院长春应用化学研究所 | 2024-05-14 | — | — | CN | disclosed |
| CN-115057878-A | Main chain polyester type oligomeric porphyrin metal complex as well as preparation method and application thereof | 中国科学院长春应用化学研究所 | 2022-09-16 | — | — | CN | disclosed |