⚠ 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 | |
|---|---|---|---|---|
| Propionic Acid SCHEMBL16014622 | 0.85 | — | — | |
| Propionic Acid SCHEMBL28482387 | 0.85 | — | — | |
| Propionic Acid SCHEMBL386699 | 0.85 | FFAR3 (0.83) | — | |
| Propionic Acid SCHEMBL2500005 | 0.85 | — | — | |
| Propionic Acid SCHEMBL4328390 | 0.85 | FFAR3 (0.83) | — | |
| Propionic Acid SCHEMBL608914 | 0.85 | FFAR3 (0.83) | — | |
| Propionic Acid SCHEMBL2461940 | 0.85 | FFAR3 (0.83) | — | |
| Propionic Acid SCHEMBL6855893 | 0.85 | FFAR3 (0.83) | — | |
| Propionic Acid SCHEMBL2454431 | 0.85 | FFAR3 (0.83) | — | |
| Propionic Acid SCHEMBL8625749 | 0.85 | FFAR3 (0.83) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-109400464-A | The preparation method of 5- acetyl bromide propionic acid | 湖北大学 | 2019-03-01 | — | — | CN | disclosed |