⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5202537 | 0.89 | CA2 (0.44) | — | |
| SCHEMBL5204676 | 0.86 | — | — | |
| SCHEMBL5203365 | 0.82 | PTGS2 (0.57) | — | |
| SCHEMBL6885606 | 0.82 | PTGS2 (0.57) | — | |
| SCHEMBL5201724 | 0.79 | PTGS2 (0.45) | — | |
| SCHEMBL5205867 | 0.77 | PTGS2 (0.52) | — | |
| SCHEMBL5202962 | 0.77 | PTGS2 (0.45) | — | |
| SCHEMBL5202904 | 0.76 | PTGS2 (0.44) | — | |
| SCHEMBL5865421 | 0.76 | PTGS2 (0.48) | — | |
| SCHEMBL5272064 | 0.75 | PTGS2 (0.49) | — |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1458706-B1 | DIARYL 1,2,4-TRIAZOLE DERIVATIVES AS A HIGHLY SELECTIVE CYCLOOXYGENASE-2 INHIBITOR | CJ CORP (KR) | 2007-07-11 | — | — | EP | claimed |
| CN-1290842-C | Diaryl 1,2,4-triazole derivatives as a highly selective cyclooxygenase-2 inhibitor | CJ CORP (KR) | 2006-12-20 | — | — | CN | claimed |
| US-7135572-B2 | Diaryl 1,2,4-triazole derivatives as a highly selective cyclooxygenase-2 inhibitor | CJ CORP (KR) | 2006-11-14 | — | — | US | claimed |
| US-20060009495-A1 | Diary 1,2,4-triazole derivatives as a highly selective cyclooxygenase-2 inhibitor | CJ CORP. (KR) | 2006-01-12 | — | — | US | claimed |
| EP-1458706-A4 | DIARYL 1,2,4-TRIAZOLE DERIVATIVES AS A HIGHLY SELECTIVE CYCLOOXYGENASE-2 INHIBITOR | CJ CORP (KR) | 2005-06-08 | — | — | EP | claimed |
| CN-1608060-A | Diaryl 1,2, 4-triazole derivatives as highly selective cyclooxygenase-2 inhibitors | CJ CORP (KR) | 2005-04-20 | — | — | CN | claimed |
| US-20050075373-A1 | Diaryl 1,2,4-triazole derivatives as a highly selective cyclooxygenase-2 inhibitor | CJ CORP. (KR) | 2005-04-07 | — | — | US | claimed |
| EP-1458706-A1 | DIARYL 1,2,4-TRIAZOLE DERIVATIVES AS A HIGHLY SELECTIVE CYCLOOXYGENASE-2 INHIBITOR | CJ Corp. (KR) | 2004-09-22 | — | — | EP | claimed |
| WO-2003055875-A1 | DIARYL 1,2,4-TRIAZOLE DERIVATIVES AS A HIGHLY SELECTIVE CYCLOOXYGENASE-2 INHIBITOR | CJ CORP. (KR) | 2003-07-10 | — | — | WO | claimed |
| EP-1458706-B1 | DIARYL 1,2,4-TRIAZOLE DERIVATIVES AS A HIGHLY SELECTIVE CYCLOOXYGENASE-2 INHIBITOR | CJ CORP (KR) | 2007-07-11 | — | — | EP | disclosed |
| US-7169929-B2 | Diaryl 1,2,4-triazole derivatives as a highly selective cyclooxygenase-2 inhibitor | CJ CORP. (KR) | 2007-01-30 | — | — | US | disclosed |
| CN-1290842-C | Diaryl 1,2,4-triazole derivatives as a highly selective cyclooxygenase-2 inhibitor | CJ CORP (KR) | 2006-12-20 | — | — | CN | disclosed |
| US-7135572-B2 | Diaryl 1,2,4-triazole derivatives as a highly selective cyclooxygenase-2 inhibitor | CJ CORP (KR) | 2006-11-14 | — | — | US | disclosed |
| US-20060009495-A1 | Diary 1,2,4-triazole derivatives as a highly selective cyclooxygenase-2 inhibitor | CJ CORP. (KR) | 2006-01-12 | — | — | US | disclosed |
| EP-1458706-A4 | DIARYL 1,2,4-TRIAZOLE DERIVATIVES AS A HIGHLY SELECTIVE CYCLOOXYGENASE-2 INHIBITOR | CJ CORP (KR) | 2005-06-08 | — | — | EP | disclosed |
| CN-1608060-A | Diaryl 1,2, 4-triazole derivatives as highly selective cyclooxygenase-2 inhibitors | CJ CORP (KR) | 2005-04-20 | — | — | CN | disclosed |
| US-20050075373-A1 | Diaryl 1,2,4-triazole derivatives as a highly selective cyclooxygenase-2 inhibitor | CJ CORP. (KR) | 2005-04-07 | — | — | US | disclosed |
| EP-1458706-A1 | DIARYL 1,2,4-TRIAZOLE DERIVATIVES AS A HIGHLY SELECTIVE CYCLOOXYGENASE-2 INHIBITOR | CJ Corp. (KR) | 2004-09-22 | — | — | EP | disclosed |
| WO-2003055875-A1 | DIARYL 1,2,4-TRIAZOLE DERIVATIVES AS A HIGHLY SELECTIVE CYCLOOXYGENASE-2 INHIBITOR | CJ CORP. (KR) | 2003-07-10 | — | — | WO | disclosed |