⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4699012 | 1.00 | — | — | |
| SCHEMBL29656074 | 0.77 | — | — | |
| SCHEMBL28176000 | 0.71 | — | — | |
| SCHEMBL27695261 | 0.67 | — | — | |
| SCHEMBL25515908 | 0.67 | — | — | |
| SCHEMBL6206004 | 0.67 | ALDH1A1 (0.32) | — | |
| SCHEMBL7507421 | 0.67 | — | — | |
| SCHEMBL6014661 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL28664889 | 0.65 | — | — | |
| SCHEMBL27509632 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-113321618-B | Three alkaloid compounds in purslane and extraction and separation method thereof | 辽宁中医药大学 | 2022-05-20 | — | — | CN | disclosed |