⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16056007 | 0.83 | ADH1C (0.42) | — | |
| SCHEMBL7192789 | 0.83 | — | — | |
| SCHEMBL27996549 | 0.76 | — | — | |
| SCHEMBL1749952 | 0.74 | — | — | |
| SCHEMBL926581 | 0.74 | — | — | |
| SCHEMBL1749619 | 0.74 | — | — | |
| SCHEMBL9035356 | 0.72 | ALDH1A1 (0.39) | — | |
| SCHEMBL11702786 | 0.72 | — | — | |
| SCHEMBL1749290 | 0.69 | ADH1A (0.32) | — | |
| SCHEMBL24205293 | 0.67 | ADH1A (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20110312984-A1 | STAT3 INHIBITORS | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2011-12-22 | — | — | US | disclosed |