⚠ 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 | 0.79 | SIGMAR1 (0.34) | — | |
| SCHEMBL27485886 | 0.76 | L3MBTL1 (0.41) | — | |
| SCHEMBL12169135 | 0.72 | SIGMAR1 (0.37) | — | |
| SCHEMBL7003223 | 0.71 | PTGS2 (0.33) | — | |
| SCHEMBL12169195 | 0.70 | — | — | |
| SCHEMBL6991869 | 0.70 | PTGS2 (0.44) | — | |
| SCHEMBL6997149 | 0.69 | PTGS2 (0.37) | — | |
| SCHEMBL8004043 | 0.67 | SIGMAR1 (0.36) | — | |
| SCHEMBL7897120 | 0.67 | SIGMAR1 (0.36) | — | |
| SCHEMBL1419929 | 0.67 | ALDH1A1 (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 2 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 |
| CN-1348447-A | 4,5 diaryl-3 (2H) -furanone derivatives as cyclooxygenase-2 inhibitors | PACIFIC CORP (KR) | 2002-05-08 | — | — | CN | disclosed |