⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15570793 | 1.00 | — | — | |
| SCHEMBL12433420 | 0.85 | ALDH1A1 (0.42) | — | |
| SCHEMBL15570794 | 0.81 | SCN4A (0.35) | — | |
| SCHEMBL11062410 | 0.79 | — | — | |
| SCHEMBL8386443 | 0.77 | — | — | |
| SCHEMBL8297383 | 0.76 | — | — | |
| SCHEMBL7849326 | 0.76 | — | — | |
| SCHEMBL11058962 | 0.76 | TSHR (0.36) | — | |
| SCHEMBL29227567 | 0.75 | ALDH1A1 (0.42) | — | |
| SCHEMBL324571 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006099058-A2 | ORGANIC NITRIC OXIDE ENHANCING SALTS OF ANGIOTENSIN II ANTAGONISTS, COMPOSITIONS AND METHODS OF USE | NITROMED, INC. (US) | 2006-09-21 | — | — | WO | disclosed |