⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1776390 | 0.85 | — | — | |
| SCHEMBL2632724 | 0.76 | — | — | |
| SCHEMBL14029058 | 0.76 | NOS3 (0.44) | — | |
| SCHEMBL6967823 | 0.76 | — | — | |
| SCHEMBL14029045 | 0.76 | NOS3 (0.44) | — | |
| SCHEMBL20457721 | 0.76 | — | — | |
| SCHEMBL28285173 | 0.76 | — | — | |
| SCHEMBL7133362 | 0.76 | — | — | |
| SCHEMBL990706 | 0.74 | NOS3 (0.43) | — | |
| Iodide SCHEMBL6976543 | 0.74 | — | — |
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-1294713-A2 | COMPOUNDS POSSESSING ANTIBACTERIAL, ANTIFUNGAL OR ANTITUMOR ACTIVITY | GENELABS TECHNOLOGIES, INC. (US) | 2003-03-26 | — | — | EP | disclosed |
| WO-2002000650-A2 | NOVEL COMPOUNDS POSSESSING ANTIBACTERIAL, ANTIFUNGAL OR ANTITUMOR ACTIVITY | GENELABS TECHNOLOGIES, INC. (US) | 2002-01-03 | — | — | WO | disclosed |