⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28785551 | 0.62 | — | — | |
| SCHEMBL28737261 | 0.60 | — | — | |
| SCHEMBL3815056 | 0.59 | — | — | |
| Sulfur Dioxide SCHEMBL28640181 | 0.58 | — | — | |
| SCHEMBL9625479 | 0.56 | — | — | |
| SCHEMBL4027778 | 0.56 | — | — | |
| SCHEMBL2326 | 0.56 | — | — | |
| SCHEMBL23437060 | 0.56 | — | — | |
| SCHEMBL7423139 | 0.56 | — | — | |
| SCHEMBL1618754 | 0.56 | — | — |
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-1192163-B1 | DITHIEPINO 6,5-b]PYRIDINES, AND RELATED COMPOSITIONS AND METHODS | ORTHO MCNEIL PHARM INC (US) | 2003-09-17 | — | — | EP | disclosed |