⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21816582 | 0.64 | PTGS2 (0.66) | — | |
| SCHEMBL13776806 | 0.63 | CYP3A4 (0.41) | — | |
| SCHEMBL14198648 | 0.63 | IDO1 (0.46) | — | |
| SCHEMBL18571330 | 0.61 | ALDH1A1 (0.46) | — | |
| SCHEMBL12169127 | 0.60 | CYP2D6 (0.42) | — | |
| SCHEMBL6997731 | 0.60 | PTGS2 (0.55) | — | |
| SCHEMBL6997547 | 0.59 | PTGS2 (0.40) | — | |
| SCHEMBL21113575 | 0.58 | PTGS1 (0.38) | — | |
| SCHEMBL23077622 | 0.58 | PTGS2 (0.50) | — | |
| SCHEMBL22206413 | 0.58 | LIPG (0.59) | — |
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 |