⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29018762 | 0.77 | GAA (0.33) | — | |
| SCHEMBL28539781 | 0.71 | — | — | |
| SCHEMBL29037535 | 0.62 | GAA (0.32) | — | |
| SCHEMBL16155120 | 0.61 | — | — | |
| SCHEMBL21694838 | 0.61 | — | — | |
| SCHEMBL22858436 | 0.61 | — | — | |
| SCHEMBL2898642 | 0.61 | GAA (0.30) | — | |
| SCHEMBL10340587 | 0.59 | GAA (0.33) | — | |
| Ammonia Solution, Strong SCHEMBL28654123 | 0.59 | — | — | |
| SCHEMBL11258044 | 0.59 | SMN1; SMN2 (0.32) | — |
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-113666864-A | Preparation method of TEMPO-4-ammonium chloride | 宿迁时代储能科技有限公司 | 2021-11-19 | — | — | CN | claimed |
| CN-113666864-A | Preparation method of TEMPO-4-ammonium chloride | 宿迁时代储能科技有限公司 | 2021-11-19 | — | — | CN | disclosed |