⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20830769 | 0.77 | CYP3A4 (0.46) | — | |
| SCHEMBL7162294 | 0.73 | CA2 (0.34) | — | |
| SCHEMBL9253214 | 0.71 | CYP3A4 (0.48) | — | |
| SCHEMBL28722074 | 0.70 | FDPS (0.35) | — | |
| SCHEMBL8535824 | 0.70 | CYP2D6 (0.31) | — | |
| SCHEMBL4609419 | 0.69 | MLYCD (0.32) | — | |
| SCHEMBL7391020 | 0.69 | GABRA1 (0.33) | — | |
| SCHEMBL2211529 | 0.68 | PLCG1 (0.33) | — | |
| SCHEMBL9156184 | 0.68 | CA2 (0.36) | — | |
| SCHEMBL7504270 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0848004-B1 | PYRROLIDINE DERIVATIVES HAVING PHOSPHOLIPASE A2 INHIBITORY ACTIVITY | SHIONOGI & CO (JP) | 2003-04-02 | — | — | EP | disclosed |
| US-5955616-A | PROSTAGLANDIN INHIBITORS | SHIONOGI & CO., LTD. (JP) | 1999-09-21 | — | — | US | disclosed |
| EP-0848004-A1 | PYRROLIDINE DERIVATIVES HAVING PHOSPHOLIPASE A2 INHIBITORY ACTIVITY | SHIONOGI & CO., LTD. (JP) | 1998-06-17 | — | — | EP | disclosed |