⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4096647 | 0.90 | PTGS2 (0.63) | — | |
| SCHEMBL4096849 | 0.86 | PTGS2 (0.57) | — | |
| SCHEMBL3826469 | 0.84 | PTGS2 (0.55) | — | |
| SCHEMBL15051716 | 0.83 | PTGS2 (0.60) | — | |
| SCHEMBL4095711 | 0.83 | PTGS2 (0.75) | — | |
| SCHEMBL15050961 | 0.82 | PTGS2 (0.61) | — | |
| SCHEMBL15051711 | 0.81 | PTGS2 (0.62) | — | |
| SCHEMBL3824225 | 0.81 | PTGS2 (0.78) | — | |
| SCHEMBL15051524 | 0.80 | PTGS2 (0.64) | — | |
| SCHEMBL15051523 | 0.79 | PTGS2 (0.56) | — |
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-2059504-A1 | 3-SUBSTITUTED-1,5-DIARLY-2-ALKYL-PYRROLES HIGHLY SELECTIVE AND ORALLY EFFECTIVE COX-2 INHIBITORS | Rottapharm S.p.A. (IT) | 2009-05-20 | — | — | EP | disclosed |
| WO-2008014821-A1 | 3-SUBSTITUTED-1,5-DIARLY-2-ALKYL-PYRROLES HIGHLY SELECTIVE AND ORALLY EFFECTIVE COX-2 INHIBITORS | ROTTAPHARM S.P.A. (IT) | 2008-02-07 | — | — | WO | disclosed |