⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14914735 | 0.94 | — | — | |
| SCHEMBL14915497 | 0.92 | — | — | |
| SCHEMBL27474795 | 0.76 | KDM4E (0.30) | — | |
| SCHEMBL2225149 | 0.73 | — | — | |
| SCHEMBL4728246 | 0.71 | — | — | |
| SCHEMBL10371841 | 0.69 | — | — | |
| SCHEMBL431934 | 0.67 | — | — | |
| SCHEMBL18170327 | 0.65 | — | — | |
| SCHEMBL4059820 | 0.65 | — | — | |
| SCHEMBL1238338 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0595557-B1 | New substituted azetidinones as anti-inflammatory and antidegenerative agents | MERCK & CO INC (US) | 2004-06-30 | — | — | EP | disclosed |