⚠ 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 | |
|---|---|---|---|---|
| Adipic Acid SCHEMBL1332448 | 0.79 | — | — | |
| Pimelic Acid SCHEMBL13875811 | 0.76 | — | — | |
| Succinic Acid SCHEMBL1331059 | 0.73 | — | — | |
| Butyric Acid SCHEMBL1331174 | 0.70 | — | — | |
| Propionic Acid SCHEMBL12466146 | 0.69 | — | — | |
| Butyric Acid SCHEMBL15677233 | 0.69 | — | — | |
| Valeric Acid SCHEMBL23829921 | 0.65 | — | — | |
| Propionic Acid SCHEMBL1331443 | 0.64 | — | — | |
| SCHEMBL23829710 | 0.61 | — | — | |
| Malonic Acid SCHEMBL1330716 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20210289794-A1 | COMPOSITIONS AND RELATED METHODS FOR AGRICULTURE | FLAGSHIP PIONEERING INNOVATIONS V, INC. | 2021-09-23 | — | — | US | disclosed |