⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27824257 | 1.00 | — | — | |
| SCHEMBL5793261 | 1.00 | — | — | |
| SCHEMBL2931512 | 1.00 | — | — | |
| SCHEMBL1091807 | 1.00 | — | — | |
| SCHEMBL988383 | 1.00 | — | — | |
| SCHEMBL993466 | 1.00 | — | — | |
| Water SCHEMBL9593978 | 0.82 | — | — | |
| Hydrogen Sulfide SCHEMBL9676899 | 0.82 | — | — | |
| SCHEMBL11595831 | 0.82 | — | — | |
| Iodide SCHEMBL22660405 | 0.82 | — | — |
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-116917726-A | Mass spectrometry of organic synthetic compounds | 株式会社岛津制作所 | 2023-10-20 | — | — | CN | disclosed |