⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23314594 | 0.92 | — | — | |
| SCHEMBL25982267 | 0.92 | — | — | |
| SCHEMBL26937228 | 0.90 | — | — | |
| SCHEMBL23314722 | 0.90 | — | — | |
| SCHEMBL25980053 | 0.90 | — | — | |
| SCHEMBL25979685 | 0.89 | — | — | |
| SCHEMBL23314713 | 0.87 | — | — | |
| SCHEMBL25979828 | 0.86 | — | — | |
| SCHEMBL18681222 | 0.85 | PDE4A (0.33) | — | |
| SCHEMBL23314807 | 0.85 | PDE4A (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-3145944-B1 | MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS | RQX PHARMACEUTICALS INC (US) | 2021-05-05 | — | — | EP | disclosed |