⚠ 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 SCHEMBL28100262 | 0.82 | — | — | |
| Butanone SCHEMBL27501575 | 0.82 | — | — | |
| Acrylonitrile SCHEMBL10809788 | 0.82 | TDP1 (0.53) | — | |
| Acrylonitrile SCHEMBL28054269 | 0.81 | — | — | |
| Acrylonitrile SCHEMBL5961927 | 0.81 | — | — | |
| Propionamide SCHEMBL28237848 | 0.80 | — | — | |
| Acrylonitrile SCHEMBL2412372 | 0.78 | — | — | |
| Propionamide SCHEMBL27881028 | 0.78 | — | — | |
| Propionamide SCHEMBL27892156 | 0.78 | — | — | |
| Propionamide SCHEMBL27470429 | 0.78 | — | — |
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-104987297-A | Preparation method for propanamide | XIANGSHUI MODERN CHEMICAL CO LTD | 2015-10-21 | — | — | CN | disclosed |