⚠ 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 | 0.95 | — | — | |
| Propionaldehyde SCHEMBL4992 | 0.95 | — | — | |
| Propionaldehyde SCHEMBL28164384 | 0.95 | — | — | |
| Propionaldehyde SCHEMBL7323052 | 0.95 | — | — | |
| Propionaldehyde SCHEMBL5310572 | 0.95 | — | — | |
| Propionaldehyde SCHEMBL14973367 | 0.90 | — | — | |
| Propionaldehyde SCHEMBL284030 | 0.90 | — | — | |
| Propionaldehyde SCHEMBL16379 | 0.90 | — | — | |
| Propionaldehyde SCHEMBL284324 | 0.90 | — | — | |
| Propionaldehyde SCHEMBL22115957 | 0.90 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011115781-A1 | CONVERSION OF OXYGENATES TO HYDROCARBON FUELS BY DEOXYGENATION | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2011-09-22 | — | — | WO | disclosed |
| CN-101120011-A | Macrolides | PFIZER PROD INC (US) | 2008-02-06 | — | — | CN | disclosed |