⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9347867 | 0.67 | — | — | |
| SCHEMBL9864350 | 0.61 | MAOA (0.33) | — | |
| SCHEMBL13858924 | 0.61 | — | — | |
| SCHEMBL17994199 | 0.61 | — | — | |
| SCHEMBL10405226 | 0.57 | — | — | |
| SCHEMBL9342719 | 0.57 | KDM4E (0.32) | — | |
| SCHEMBL5227002 | 0.56 | — | — | |
| SCHEMBL28221631 | 0.56 | — | — | |
| Toluene SCHEMBL451397 | 0.54 | — | — | |
| SCHEMBL4449428 | 0.52 | — | — |
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-20100323976-A1 | NOVEL ANTI-INFLAMMATORY PRO-DRUGS | ACADEMISCH MEDISCH CENTRUM (NL) | 2010-12-23 | — | — | US | disclosed |
| EP-2167520-A2 | NOVEL ANTI-INFLAMMATORY PRO-DRUGS | Academisch Medisch Centrum (NL) | 2010-03-31 | — | — | EP | disclosed |
| WO-2008153394-A2 | NOVEL ANTI-INFLAMMATORY PRO-DRUGS | ACADEMISCH MEDISCH CENTRUM (NL) | 2008-12-18 | — | — | WO | disclosed |