⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL555115 | 0.72 | — | — | |
| SCHEMBL1081308 | 0.58 | — | — | |
| SCHEMBL5363845 | 0.54 | — | — | |
| SCHEMBL6054660 | 0.53 | — | — | |
| SCHEMBL203872 | 0.53 | — | — | |
| SCHEMBL1931150 | 0.50 | — | — | |
| SCHEMBL17701120 | 0.43 | — | — | |
| SCHEMBL2992819 | 0.43 | — | — | |
| SCHEMBL345483 | 0.43 | — | — | |
| SCHEMBL17686754 | 0.43 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1074544-B1 | Process for production of 3-(3-pyridyl)-1-propanol derivatives | KANEKA CORP (JP) | 2003-08-27 | — | — | EP | claimed |