Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Tert-Butylamine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ 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 | |
|---|---|---|---|---|
| Tert-Butylamine SCHEMBL331675 | 0.94 | — | — | |
| Tert-Butylamine SCHEMBL263850 | 0.94 | — | — | |
| Tert-Butylamine SCHEMBL9186580 | 0.94 | FDPS (0.31) | — | |
| Tert-Butylamine SCHEMBL7781705 | 0.94 | — | — | |
| Tert-Butylamine SCHEMBL9186584 | 0.94 | — | — | |
| Tert-Butylamine SCHEMBL6330044 | 0.88 | — | — | |
| Tert-Butylamine SCHEMBL7125928 | 0.88 | — | — | |
| Tert-Butylamine SCHEMBL16859666 | 0.88 | — | — | |
| Tert-Butylamine SCHEMBL5166803 | 0.88 | — | — | |
| Tert-Butylamine SCHEMBL6064515 | 0.87 | FDPS (0.33) | — |
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-109593041-B | Synthesis method and application of dialkyl hydronopyl ammonium halide compound | 江西农业大学 | 2021-08-24 | — | — | CN | disclosed |