⚠ 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 | |
|---|---|---|---|---|
| Alcohol SCHEMBL562588 | 0.85 | — | — | |
| Alcohol SCHEMBL87908 | 0.85 | — | — | |
| Propanol SCHEMBL29262539 | 0.81 | — | — | |
| Butane SCHEMBL759395 | 0.81 | — | — | |
| Propanol SCHEMBL27618879 | 0.76 | — | — | |
| Propane SCHEMBL18132350 | 0.76 | — | — | |
| Propanol SCHEMBL27477027 | 0.76 | ALDH1A1 (0.50) | — | |
| Propanol SCHEMBL7689009 | 0.76 | — | — | |
| Propanol SCHEMBL355434 | 0.76 | — | — | |
| Sulfamate SCHEMBL8179030 | 0.76 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2001036412-A1 | PROCESS FOR THE PREPARATION OF ARYLOXY PROPANOLAMINES | ELI LILLY AND COMPANY (US) | 2001-05-25 | — | — | WO | disclosed |