⚠ 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 | |
|---|---|---|---|---|
| Propionaldehyde SCHEMBL1332840 | 0.87 | — | — | |
| Propionaldehyde SCHEMBL4992 | 0.87 | — | — | |
| Propionaldehyde SCHEMBL28164384 | 0.87 | — | — | |
| Propionaldehyde SCHEMBL7323052 | 0.87 | — | — | |
| Propionaldehyde SCHEMBL5310572 | 0.87 | — | — | |
| Benzene SCHEMBL870097 | 0.83 | ALDH1A1 (0.75) | — | |
| Propionaldehyde SCHEMBL8916722 | 0.82 | — | — | |
| Propionaldehyde SCHEMBL284030 | 0.82 | — | — | |
| Propionaldehyde SCHEMBL14973367 | 0.82 | — | — | |
| Propionaldehyde SCHEMBL284324 | 0.82 | — | — |
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-0837849-B1 | PYRIDINE BASE SYNTHESIS | REILLY IND INC (US) | 2002-03-13 | — | — | EP | disclosed |