⚠ 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 | |
|---|---|---|---|---|
| Thiosulfuric Acid SCHEMBL27479841 | 0.96 | — | — | |
| Thiosulfuric Acid SCHEMBL28131785 | 0.89 | — | — | |
| Thiosulfuric Acid SCHEMBL10430747 | 0.86 | — | — | |
| Thiosulfuric Acid SCHEMBL28132531 | 0.86 | ALDH1A1 (0.40) | — | |
| Thiosulfuric Acid SCHEMBL28931923 | 0.85 | — | — | |
| Thiosulfuric Acid SCHEMBL10752816 | 0.84 | — | — | |
| Sulfuric Acid SCHEMBL2520102 | 0.84 | — | — | |
| Thiosulfuric Acid SCHEMBL6446 | 0.83 | — | — | |
| Hexane SCHEMBL291007 | 0.83 | TP53 (0.46) | — | |
| Thiosulfuric Acid SCHEMBL8512498 | 0.83 | CA5A (0.50) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113430594-B | Application of nitrogen-containing micromolecules and electroplating solution | 季华实验室 | 2022-04-01 | — | — | CN | claimed |
| CN-113430594-A | Application of nitrogen-containing micromolecules and electroplating solution | 季华实验室 | 2021-09-24 | — | — | CN | claimed |
| CN-113430594-B | Application of nitrogen-containing micromolecules and electroplating solution | 季华实验室 | 2022-04-01 | — | — | CN | disclosed |
| CN-113430594-A | Application of nitrogen-containing micromolecules and electroplating solution | 季华实验室 | 2021-09-24 | — | — | CN | disclosed |