⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL458420 | 0.85 | — | — | |
| SCHEMBL2494 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL17303190 | 0.83 | — | — | |
| Cadaverine Tartrate SCHEMBL7865850 | 0.67 | TSHR (0.39) | — | |
| Cadaverine Tartrate SCHEMBL9163185 | 0.66 | TSHR (0.37) | — | |
| Hydrochloric Acid SCHEMBL5490018 | 0.66 | — | — | |
| SCHEMBL29771444 | 0.64 | — | — | |
| SCHEMBL84535 | 0.61 | — | — | |
| SCHEMBL84537 | 0.61 | — | — | |
| SCHEMBL84536 | 0.61 | — | — |
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-115867426-A | Method for producing a mixture | 默克专利有限公司 | 2023-03-28 | — | — | CN | disclosed |