⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20259226 | 0.79 | — | — | |
| SCHEMBL22375268 | 0.74 | CHRM2 (0.33) | — | |
| SCHEMBL18270398 | 0.74 | HRH3 (0.30) | — | |
| SCHEMBL22375272 | 0.74 | — | — | |
| SCHEMBL18849664 | 0.71 | — | — | |
| SCHEMBL23961433 | 0.70 | HRH3 (0.34) | — | |
| SCHEMBL18849837 | 0.69 | — | — | |
| SCHEMBL18713206 | 0.69 | TSHR (0.32) | — | |
| SCHEMBL22375275 | 0.68 | — | — | |
| SCHEMBL21350250 | 0.68 | — | — |
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-20200277312-A1 | IMMUNOPROTEASOME INHIBITORS | PRINCIPIA BIOPHARMA INC. | 2020-09-03 | — | — | US | disclosed |