⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16944251 | 0.74 | — | — | |
| SCHEMBL12279311 | 0.71 | — | — | |
| SCHEMBL17236491 | 0.71 | — | — | |
| SCHEMBL809628 | 0.69 | — | — | |
| SCHEMBL5380292 | 0.69 | — | — | |
| SCHEMBL3048552 | 0.69 | — | — | |
| SCHEMBL12207268 | 0.69 | — | — | |
| SCHEMBL21064371 | 0.69 | — | — | |
| SCHEMBL13775947 | 0.69 | — | — | |
| SCHEMBL209839 | 0.69 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1244460-B8 | USE OF DIPYRIDINIUM COMPOUNDS FOR TREATING A DISEASE CHARACTERIZED BY PROLIFERATING CELLS CONTAINING NITRIC OXIDE SYNTHASE | UNIV DUKE (US) | 2010-05-19 | — | — | EP | disclosed |
| EP-1244460-A4 | TREATMENTS BASED ON DISCOVERY THAT NITRIC OXIDE SYNTHASE IS A PARAQUAT DIAPHORASE | UNIV DUKE (US) | 2004-10-06 | — | — | EP | disclosed |
| EP-1244460-A1 | TREATMENTS BASED ON DISCOVERY THAT NITRIC OXIDE SYNTHASE IS A PARAQUAT DIAPHORASE | DUKE UNIVERSITY (US) | 2002-10-02 | — | — | EP | disclosed |
| WO-2001028568-A1 | TREATMENTS BASED ON DISCOVERY THAT NITRIC OXIDE SYNTHASE IS A PARAQUAT DIAPHORASE | DUKE UNIVERSITY (US) | 2001-04-26 | — | — | WO | disclosed |