Known targets — ChEMBL curated mechanism
ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG
The experimentally established mechanism targets of Trimethylammonium. 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 | |
|---|---|---|---|---|
| Trimethylammonium SCHEMBL236980 | 0.94 | ADH1C (0.30) | — | |
| Trimethylammonium SCHEMBL27530606 | 0.94 | ADH1C (0.30) | — | |
| Trimethylammonium SCHEMBL27417165 | 0.94 | — | — | |
| Trimethylammonium SCHEMBL27713803 | 0.94 | ADH1C (0.30) | — | |
| Cyclohexane SCHEMBL1617160 | 0.94 | ADH1C (0.30) | — | |
| Trimethylammonium SCHEMBL237388 | 0.94 | ADH1C (0.30) | — | |
| Cyclohexane SCHEMBL11967831 | 0.94 | ADH1C (0.30) | — | |
| Cyclooctane SCHEMBL7916174 | 0.94 | ADH1C (0.30) | — | |
| Cyclohexane SCHEMBL5867285 | 0.88 | LMNA (0.31) | — | |
| Cyclohexane SCHEMBL28409715 | 0.88 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7344694-B2 | UZM-12 and UZM-12HS: crystalline aluminosilicate zeolitic compositions and processes for preparing and using the compositions | UOP LLC (US) | 2008-03-18 | — | — | US | disclosed |
| EP-1797005-A2 | UZM-12 AND UZM-12HS: CRYSTALLINE ALUMINOSILICATE ZEOLITIC COMPOSITIONS AND PROCESSES FOR PREPARING AND USING THE COMPOSITIONS | UOP LLC (US) | 2007-06-20 | — | — | EP | disclosed |
| WO-2006137900-A2 | UZM-12 AND UZM-12HS: CRYSTALLINE ALUMINOSILICATE ZEOLITIC COMPOSITIONS AND PROCESSES FOR PREPARING AND USING THE COMPOSITIONS | UOP LLC (US) | 2006-12-28 | — | — | WO | disclosed |
| US-20060073094-A1 | UZM-12 and UZM-12 HS: crystalline aluminosilicate zeolitic compositions and processes for preparing and using the compositions | UOP LLC | 2006-04-06 | — | — | US | disclosed |