⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8187295 | 0.95 | — | — | |
| SCHEMBL212537 | 0.83 | MAPK1 (0.36) | — | |
| SCHEMBL9972441 | 0.76 | — | — | |
| SCHEMBL14182576 | 0.74 | — | — | |
| SCHEMBL7424822 | 0.74 | MAPK1 (0.33) | — | |
| SCHEMBL13411447 | 0.72 | ALDH1A1 (0.32) | — | |
| SCHEMBL7332134 | 0.70 | — | — | |
| SCHEMBL13316781 | 0.70 | MAPK1 (0.41) | — | |
| SCHEMBL8888918 | 0.70 | — | — | |
| SCHEMBL120506 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5594006-A | SUCH AS COLLEGENASE, STROMELYSIN; ANTICANCER AGENTS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1997-01-14 | — | — | US | disclosed |
| EP-0641323-A1 | CARBOSTYRIL DERIVATIVES AS MATRIX METALLOPROTEINASES INHIBITORS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1995-03-08 | — | — | EP | disclosed |
| WO-1994021612-A1 | CARBOSTYRIL DERIVATIVES AS MATRIX METALLOPROTEINASES INHIBITORS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1994-09-29 | — | — | WO | disclosed |