⚠ 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 | |
|---|---|---|---|---|
| Butyl Alcohol SCHEMBL28310758 | 0.90 | — | — | |
| 1,4-Butanediol SCHEMBL28190490 | 0.90 | SMN1; SMN2 (0.62) | — | |
| 1,3-Propanediol SCHEMBL28115866 | 0.90 | — | — | |
| Butyl Alcohol SCHEMBL10750856 | 0.86 | — | — | |
| Butyl Alcohol SCHEMBL27610842 | 0.86 | ALDH1A1 (0.85) | — | |
| Butyl Alcohol SCHEMBL27729241 | 0.86 | — | — | |
| Butyl Alcohol SCHEMBL998515 | 0.86 | — | — | |
| Butyl Alcohol SCHEMBL29688432 | 0.86 | — | — | |
| Butyl Alcohol SCHEMBL29688387 | 0.86 | — | — | |
| Butyl Alcohol SCHEMBL9725477 | 0.86 | ALDH1A1 (1.00) | — |
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-5508385-A | PROTEASE INHIBITOR; ANTIULCER AGENTS, ANTIINFLAMMATORY AGENTS; TREATING PANCREATITIS | NITTO BOSEKI CO., LTD. (JP) | 1996-04-16 | — | — | US | disclosed |
| US-5416238-A | L-argininal acetal derivatives and a process for production thereof | NITTO BOSEKI CO., LTD. (JP) | 1995-05-16 | — | — | US | disclosed |