⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4670981 | 0.76 | CPB1 (0.44) | — | |
| SCHEMBL1359176 | 0.74 | HTT (0.45) | — | |
| SCHEMBL1574284 | 0.74 | HTT (0.45) | — | |
| SCHEMBL14693794 | 0.72 | — | — | |
| SCHEMBL28505920 | 0.72 | — | — | |
| SCHEMBL259989 | 0.72 | — | — | |
| SCHEMBL6243137 | 0.70 | — | — | |
| SCHEMBL2960729 | 0.70 | — | — | |
| SCHEMBL6894525 | 0.70 | HTT (0.47) | — | |
| SCHEMBL4457494 | 0.70 | HTT (0.47) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009151744-A1 | S-NITROSOMERCAPTO COMPOUNDS AND RELATED DERIVATIVES | GALLEON PHARMACEUTICALS, INC. (US) | 2009-12-17 | — | — | WO | claimed |
| WO-2014071457-A1 | DUAL ACTION NITRIC OXIDE DONORS AND THEIR USE AS ANTIMICROBIAL AGENTS | NEWSOUTH INNOVATIONS PTY LIMITED (AU) | 2014-05-15 | — | — | WO | disclosed |
| EP-1603933-A2 | NITROSATED AND NITROSYLATED COMPOUNDS, COMPOSITIONS AND METHODS OF USE | Nitromed, Inc. (US) | 2005-12-14 | — | — | EP | disclosed |
| WO-2004098538-A2 | NITROSATED AND NITROSYLATED COMPOUNDS, COMPOSITIONS AND METHODS OF USE | NITROMED, INC. (US) | 2004-11-18 | — | — | WO | disclosed |