⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL330158 | 0.93 | — | — | |
| Water SCHEMBL8933153 | 0.86 | — | — | |
| SCHEMBL30278868 | 0.86 | — | — | |
| SCHEMBL548085 | 0.86 | — | — | |
| SCHEMBL16534416 | 0.86 | — | — | |
| Hydrogen Sulfide SCHEMBL9331422 | 0.86 | — | — | |
| Arsenic SCHEMBL29055920 | 0.86 | — | — | |
| SCHEMBL18938858 | 0.80 | — | — | |
| SCHEMBL5250 | 0.77 | — | — | |
| Methylsulfanylmethane SCHEMBL28924791 | 0.76 | — | — |
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-115322226-B | Covalent targeting arsenic inhibitor and preparation method and application thereof | 厦门大学 | 2023-08-11 | — | — | CN | disclosed |
| CN-115322226-A | Covalent targeting arsenic inhibitor and preparation method and application thereof | 厦门大学 | 2022-11-11 | — | — | CN | disclosed |