⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13045922 | 0.81 | — | — | |
| SCHEMBL13045925 | 0.81 | — | — | |
| SCHEMBL13437703 | 0.70 | — | — | |
| SCHEMBL31308703 | 0.61 | LMNA (0.38) | — | |
| SCHEMBL18199886 | 0.61 | — | — | |
| SCHEMBL24497428 | 0.61 | — | — | |
| SCHEMBL24497404 | 0.61 | — | — | |
| SCHEMBL31308751 | 0.61 | PDE4A (0.40) | — | |
| SCHEMBL30899554 | 0.58 | — | — | |
| Propylene Oxide SCHEMBL7528787 | 0.58 | — | — |
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-2841435-B1 | PYRROLOPYRIDINONE DERIVATIVES AS TTX-S BLOCKERS | RAQUALIA PHARMA INC (JP) | 2017-09-06 | — | — | EP | disclosed |