⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL576072 | 0.97 | — | — | |
| Ammonia Solution, Strong SCHEMBL27956529 | 0.82 | TSHR (0.32) | — | |
| SCHEMBL10238110 | 0.81 | — | — | |
| SCHEMBL12039846 | 0.81 | ALDH1A1 (0.33) | — | |
| SCHEMBL575785 | 0.78 | — | — | |
| SCHEMBL22296284 | 0.77 | — | — | |
| Lithium SCHEMBL31516949 | 0.74 | TSHR (0.32) | — | |
| Phosphine SCHEMBL21380520 | 0.74 | TSHR (0.32) | — | |
| SCHEMBL12022837 | 0.72 | CYP3A4 (0.30) | — | |
| Ammonia Solution, Strong SCHEMBL7239919 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6639109-B1 | Reacting amino alcohol with sulfuric acid then reacting resulting amino sulfate with a mercaptan; simple, safe, rapid | NIHON NOHYAKU CO., LTD. (JP) | 2003-10-28 | — | — | US | disclosed |
| EP-1216988-A1 | THIOALKYLAMINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF | Nihon Nohyaku Co., Ltd. (JP) | 2002-06-26 | — | — | EP | disclosed |