⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24822914 | 0.84 | HTT (0.32) | — | |
| SCHEMBL24822945 | 0.78 | BCHE (0.33) | — | |
| SCHEMBL31394613 | 0.74 | ABCC9 (0.31) | — | |
| SCHEMBL20068362 | 0.72 | TDP2 (0.36) | — | |
| SCHEMBL16172610 | 0.71 | SLC5A1 (0.34) | — | |
| SCHEMBL17193806 | 0.69 | CYP3A4 (0.36) | — | |
| SCHEMBL31394278 | 0.68 | MAPK1 (0.32) | — | |
| SCHEMBL24823064 | 0.67 | PRKCG (0.31) | — | |
| SCHEMBL31394869 | 0.66 | ABCC9 (0.38) | — | |
| SCHEMBL18474236 | 0.65 | PGR (0.45) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022270487-A1 | COMPOUND, ENDOTHELIN-A RECEPTOR ANTAGONIST, AND PHARMACEUTICAL COMPOSITION | 株式会社アークメディスン | 2022-12-29 | — | — | WO | disclosed |