⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL665551 | 0.93 | — | — | |
| SCHEMBL14938 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL1529279 | 0.86 | — | — | |
| Bromide SCHEMBL11714675 | 0.86 | — | — | |
| Bromide SCHEMBL11662091 | 0.86 | — | — | |
| Bromide SCHEMBL11163335 | 0.86 | — | — | |
| SCHEMBL5026208 | 0.86 | — | — | |
| Iodide SCHEMBL31598308 | 0.80 | — | — | |
| SCHEMBL514418 | 0.76 | — | — | |
| Benzene SCHEMBL8433217 | 0.76 | CHRNB4 (0.33) | — |
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-3717456-A1 | PROCESS FOR THE PREPARATION OF ROXADUSTAT AND ITS INTERMEDIATES | Dr. Reddy's Laboratories Limited (IN) | 2020-10-07 | — | — | EP | disclosed |