⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6941722 | 0.84 | — | — | |
| SCHEMBL5680829 | 0.81 | — | — | |
| SCHEMBL47583 | 0.65 | MEN1 (0.35) | — | |
| SCHEMBL4562096 | 0.64 | — | — | |
| SCHEMBL3413336 | 0.63 | — | — | |
| SCHEMBL28268806 | 0.63 | — | — | |
| SCHEMBL4881851 | 0.61 | MAPT (0.37) | — | |
| SCHEMBL11057313 | 0.59 | MAPT (0.36) | — | |
| SCHEMBL11584838 | 0.59 | — | — | |
| SCHEMBL7189492 | 0.59 | MAPT (0.36) | — |
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-1497268-A4 | NITRIC OXIDE DONORS, COMPOSITIONS AND METHODS OF USE | NITROMED INC (US) | 2006-01-18 | — | — | EP | disclosed |
| EP-1497268-A2 | NITRIC OXIDE DONORS, COMPOSITIONS AND METHODS OF USE | Nitromed, Inc. (US) | 2005-01-19 | — | — | EP | disclosed |
| WO-2003086282-A2 | NITRIC OXIDE DONORS, COMPOSITIONS AND METHODS OF USE | NITROMED, INC. (US) | 2003-10-23 | — | — | WO | disclosed |