⚠ 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 SCHEMBL5247075 | 0.81 | — | — | |
| Trimethylammonium SCHEMBL1302492 | 0.71 | — | — | |
| Trimethylammonium SCHEMBL3795080 | 0.71 | CYP1A2 (0.31) | — | |
| Hydrochloric Acid SCHEMBL6826516 | 0.67 | — | — | |
| Trimethylammonium SCHEMBL221179 | 0.66 | HSD17B10 (0.38) | — | |
| Trimethylammonium SCHEMBL220166 | 0.64 | TGFBR1 (0.43) | — | |
| Trimethylammonium SCHEMBL1302804 | 0.64 | — | — | |
| SCHEMBL8465301 | 0.63 | — | — | |
| Trimethylammonium SCHEMBL1303300 | 0.63 | — | — | |
| Dimethylamine SCHEMBL1302900 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1084295-B1 | A PROCESS FOR THE PRODUCTION OF PAPER | AKZO NOBEL NV (NL) | 2004-01-07 | — | — | EP | disclosed |
| US-20020139502-A1 | Process for the production of paper | HALLSTROM HANS (SE) | 2002-10-03 | — | — | US | disclosed |