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 | |
|---|---|---|---|---|
| SCHEMBL2403863 | 0.84 | — | — | |
| SCHEMBL10976033 | 0.81 | — | — | |
| SCHEMBL10716291 | 0.81 | — | — | |
| Tert-Butylamine SCHEMBL28576928 | 0.73 | — | — | |
| Tert-Butylamine SCHEMBL10901442 | 0.72 | ALDH1A1 (0.32) | — | |
| Tert-Butylamine SCHEMBL10977332 | 0.72 | — | — | |
| SCHEMBL18670060 | 0.67 | — | — | |
| SCHEMBL579981 | 0.67 | — | — | |
| SCHEMBL28996752 | 0.67 | — | — | |
| SCHEMBL21461733 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0150959-A2 | A fungicidal composition | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1985-08-07 | — | — | EP | claimed |
| EP-0063464-B1 | FUNGICIDAL COMPOSITION COMPRISING ALPHA-SUBSTITUTED ETHYLPHOSPHINIC ACIDS OR THEIR SALTS, AND METHOD OF PREVENTING OR CURING PLANT DISEASE USING THEM | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1985-02-20 | — | — | EP | disclosed |
| US-4473561-A | Fungicidal composition comprising alpha-substituted ethylphosphinic acids or their salts | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1984-09-25 | — | — | US | disclosed |
| EP-0063464-A1 | Fungicidal composition comprising alpha-substituted ethylphosphinic acids or their salts, and method of preventing or curing plant disease using them | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1982-10-27 | — | — | EP | disclosed |