⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6964394 | 0.90 | — | — | |
| SCHEMBL6954753 | 0.90 | — | — | |
| SCHEMBL6512572 | 0.88 | PTGS2 (0.64) | — | |
| SCHEMBL6953221 | 0.87 | — | — | |
| SCHEMBL6168273 | 0.84 | PTGS1 (0.60) | — | |
| SCHEMBL6969636 | 0.84 | — | — | |
| SCHEMBL6979621 | 0.82 | PTGS1 (0.49) | — | |
| SCHEMBL6512823 | 0.82 | PTGS2 (0.51) | — | |
| Hydrochloric Acid SCHEMBL6315267 | 0.82 | PTGS1 (0.48) | — | |
| SCHEMBL6167548 | 0.81 | PTGS1 (0.61) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6649636-B1 | Cyclooxygenase inhibitors | PFIZER INC. | 2003-11-18 | — | — | US | claimed |
| EP-1104759-B1 | Heteroaryl phenyl pyrazole compounds as anti-inflammatory/analgesic agents | PFIZER PROD INC (US) | 2003-10-22 | — | — | EP | claimed |
| US-6649636-B1 | Cyclooxygenase inhibitors | PFIZER INC. | 2003-11-18 | — | — | US | disclosed |
| EP-1104759-B1 | Heteroaryl phenyl pyrazole compounds as anti-inflammatory/analgesic agents | PFIZER PROD INC (US) | 2003-10-22 | — | — | EP | disclosed |
| EP-1104759-A1 | Heteroaryl phenyl pyrazole compounds as anti-inflammatory/analgesic agents | Pfizer Products Inc. (US) | 2001-06-06 | — | — | EP | disclosed |