⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27485192 | 0.85 | — | — | |
| SCHEMBL27465487 | 0.80 | HSD11B1 (0.33) | — | |
| SCHEMBL27465485 | 0.76 | PTGS2 (0.33) | — | |
| SCHEMBL27519473 | 0.76 | KMT2A (0.35) | — | |
| SCHEMBL7002044 | 0.76 | PTGS2 (0.42) | — | |
| SCHEMBL27467009 | 0.74 | PGR (0.40) | — | |
| SCHEMBL27484130 | 0.72 | SIGMAR1 (0.35) | — | |
| SCHEMBL27485553 | 0.71 | — | — | |
| SCHEMBL27484129 | 0.69 | — | — | |
| SCHEMBL27548524 | 0.69 | SIGMAR1 (0.33) | — |
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 |