⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5718363 | 0.80 | CA12 (0.48) | — | |
| SCHEMBL260004 | 0.76 | — | — | |
| SCHEMBL694297 | 0.75 | CA12 (0.48) | — | |
| Bromide SCHEMBL4400362 | 0.74 | — | — | |
| SCHEMBL7598902 | 0.72 | — | — | |
| SCHEMBL2107266 | 0.72 | — | — | |
| SCHEMBL29116488 | 0.72 | — | — | |
| SCHEMBL6563272 | 0.70 | CA12 (0.43) | — | |
| SCHEMBL21961919 | 0.70 | — | — | |
| SCHEMBL465284 | 0.70 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0904266-A4 | NITROSATED AND NITROSYLATED COMPOUNDS AND COMPOSITIONS AND THEIR USE FOR TREATING RESPIRATORY DISORDERS | NITROMED INC (US) | 2001-09-19 | — | — | EP | disclosed |
| EP-0904266-A1 | NITROSATED AND NITROSYLATED COMPOUNDS AND COMPOSITIONS AND THEIR USE FOR TREATING RESPIRATORY DISORDERS | Nitromed, Inc. (US) | 1999-03-31 | — | — | EP | disclosed |
| WO-1997034871-A1 | NITROSATED AND NITROSYLATED COMPOUNDS AND COMPOSITIONS AND THEIR USE FOR TREATING RESPIRATORY DISORDERS | NITROMED, INC. (US) | 1997-09-25 | — | — | WO | disclosed |