⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7001594 | 0.70 | SIGMAR1 (0.34) | — | |
| SCHEMBL17907429 | 0.69 | — | — | |
| SCHEMBL2126405 | 0.67 | KMT2A (0.67) | — | |
| SCHEMBL2132370 | 0.67 | KMT2A (0.67) | — | |
| SCHEMBL2127606 | 0.67 | KMT2A (0.67) | — | |
| SCHEMBL8779728 | 0.66 | — | — | |
| SCHEMBL7002393 | 0.66 | SIGMAR1 (0.45) | — | |
| SCHEMBL20661295 | 0.61 | ACHE (0.40) | — | |
| SCHEMBL20661294 | 0.61 | ACHE (0.40) | — | |
| SCHEMBL12445057 | 0.61 | ALDH1A1 (0.45) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1166658-C | 4,5 diaryl-3 (2H) -furanone derivatives as cyclooxygenase-2 inhibitors | ��ʽ����̫ƽ�� | 2004-09-15 | — | — | CN | disclosed |
| EP-1109799-B1 | 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS | PACIFIC CORP (KR) | 2003-12-17 | — | — | EP | disclosed |
| CN-1348447-A | 4,5 diaryl-3 (2H) -furanone derivatives as cyclooxygenase-2 inhibitors | PACIFIC CORP (KR) | 2002-05-08 | — | — | CN | disclosed |