⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7411308 | 0.87 | NPC1 (0.41) | — | |
| SCHEMBL7407188 | 0.87 | NPC1 (0.41) | — | |
| SCHEMBL7411222 | 0.78 | — | — | |
| Trifluoroacetic Acid SCHEMBL7412387 | 0.77 | L3MBTL1 (0.34) | — | |
| SCHEMBL7412548 | 0.76 | — | — | |
| SCHEMBL7411312 | 0.76 | LMNA (0.44) | — | |
| SCHEMBL7412379 | 0.76 | — | — | |
| SCHEMBL7400934 | 0.74 | — | — | |
| SCHEMBL7404583 | 0.74 | — | — | |
| SCHEMBL7409325 | 0.74 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0973775-A1 | PYROLOPYRROLONE DERIVATIVES | GLAXO GROUP LIMITED (GB) | 2000-01-26 | — | — | EP | disclosed |
| WO-1998043975-A1 | PYROLOPYRROLONE DERIVATIVES | GLAXO GROUP LIMITED (GB) | 1998-10-08 | — | — | WO | disclosed |