⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9294747 | 0.78 | TSHR (0.36) | — | |
| SCHEMBL11031750 | 0.77 | — | — | |
| SCHEMBL7028189 | 0.74 | — | — | |
| SCHEMBL6469555 | 0.74 | — | — | |
| SCHEMBL21713279 | 0.72 | — | — | |
| SCHEMBL7007331 | 0.70 | — | — | |
| SCHEMBL28268817 | 0.70 | — | — | |
| SCHEMBL4380769 | 0.69 | — | — | |
| SCHEMBL88154 | 0.69 | — | — | |
| SCHEMBL5138213 | 0.69 | HTT (0.37) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4351848-A | 1-((1-Methylethyl)amino)-3-(((4-alkylthio)1-naphthalenyl)oxy)-2-propanol | DRUG SCIENCE FOUNDATION (US) | 1982-09-28 | — | — | US | disclosed |
| EP-0004300-B1 | 1-((1-METHYLETHYL)AMINO)-3-((4-ALKYLTHIO)-1-NAPHTHALENYL))OXY-2-PROPANOL, AND PHARMACEUTICAL COMPOSITIONS CONTAINING IT | Walle, Thomas (US) | 1981-01-07 | — | — | EP | disclosed |
| EP-0004300-A1 | 1-((1-Methylethyl)amino)-3-((4-alkylthio)-1-naphthalenyl))oxy-2-propanol, and pharmaceutical compositions containing it | Walle, Thomas (US) | 1979-10-03 | — | — | EP | disclosed |