⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL755197 | 0.79 | — | — | |
| SCHEMBL5374057 | 0.68 | RAB9A (0.38) | — | |
| SCHEMBL6126305 | 0.68 | — | — | |
| SCHEMBL762994 | 0.68 | — | — | |
| SCHEMBL2608949 | 0.67 | ALPL (0.46) | — | |
| SCHEMBL3804136 | 0.67 | — | — | |
| SCHEMBL159035 | 0.67 | — | — | |
| SCHEMBL10486621 | 0.66 | — | — | |
| SCHEMBL7326645 | 0.65 | — | — | |
| Ammonia Solution, Strong SCHEMBL7246455 | 0.65 | ALPL (0.44) | — |
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 |