⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1847664 | 0.73 | NOS3 (0.30) | — | |
| SCHEMBL12203281 | 0.73 | NOS3 (0.30) | — | |
| SCHEMBL8351328 | 0.71 | CA1 (0.30) | — | |
| SCHEMBL3965835 | 0.71 | — | — | |
| SCHEMBL1843740 | 0.71 | — | — | |
| SCHEMBL2105778 | 0.71 | CA1 (0.44) | — | |
| SCHEMBL4139116 | 0.70 | KMT2A (0.46) | — | |
| SCHEMBL22729307 | 0.67 | ALDH1A1 (0.33) | — | |
| SCHEMBL22729301 | 0.67 | — | — | |
| SCHEMBL6413759 | 0.65 | NOS3 (0.35) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1560827-A1 | ANTI-INFECTIVE AGENTS | Abbott Laboratories (US) | 2005-08-10 | — | — | EP | disclosed |
| WO-2004041818-A1 | ANTI-INFECTIVE AGENTS | ABBOTT LABORATORIES (US) | 2004-05-21 | — | — | WO | disclosed |