⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL332629 | 1.00 | — | — | |
| SCHEMBL333346 | 0.82 | AKR1B1 (0.31) | — | |
| SCHEMBL332773 | 0.82 | AKR1B1 (0.31) | — | |
| SCHEMBL333096 | 0.80 | PDE1A (0.32) | — | |
| SCHEMBL21805029 | 0.78 | PDE7A (0.31) | — | |
| SCHEMBL30183839 | 0.78 | PDE7A (0.31) | — | |
| SCHEMBL12672112 | 0.74 | SLC6A4 (0.37) | — | |
| SCHEMBL332828 | 0.74 | SLC6A4 (0.37) | — | |
| SCHEMBL332497 | 0.71 | ALOX5 (0.32) | — | |
| SCHEMBL332544 | 0.71 | ALOX5 (0.32) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8097733-B2 | Pyrazole derivatives as 5-LO-inhibitors | PFIZER INC. (US) | 2012-01-17 | — | — | US | disclosed |
| EP-2225229-A1 | PYRAZOLE DERIVATIVES AS 5-LO INHIBITORS | Pfizer Inc. (US) | 2010-09-08 | — | — | EP | disclosed |
| US-20090227634-A1 | Pyrazole Derivatives as 5-LO-Inhibitors | PFIZER INC. | 2009-09-10 | — | — | US | disclosed |
| WO-2009069044-A1 | PYRAZOLE DERIVATIVES AS 5-LO INHIBITORS | PFIZER INC. (US) | 2009-06-04 | — | — | WO | disclosed |