⚠ 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL21640538 | 0.80 | SLC6A2 (0.34) | — | |
| SCHEMBL8008729 | 0.78 | — | — | |
| SCHEMBL513755 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL72599 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL564911 | 0.71 | — | — | |
| Bromide SCHEMBL18397352 | 0.71 | — | — | |
| SCHEMBL3441569 | 0.71 | — | — | |
| SCHEMBL2152599 | 0.69 | — | — | |
| SCHEMBL23137417 | 0.69 | — | — | |
| SCHEMBL19441801 | 0.69 | — | — |
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-3604305-A1 | NOVEL PYRIDONE CARBOXYLIC ACID DERIVATIVE OR SALT THEREOF | Wakunaga Pharmaceutical Co., Ltd. (JP) | 2020-02-05 | — | — | EP | disclosed |