⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27484474 | 0.79 | — | — | |
| SCHEMBL12169141 | 0.79 | ELANE (0.39) | — | |
| SCHEMBL1420038 | 0.76 | PGR (0.41) | — | |
| SCHEMBL7005795 | 0.74 | PTGS2 (0.39) | — | |
| SCHEMBL7000674 | 0.73 | PTGS2 (0.48) | — | |
| SCHEMBL12169206 | 0.67 | NR3C1 (0.32) | — | |
| SCHEMBL1420042 | 0.67 | TGFBR1 (0.37) | — | |
| SCHEMBL1420439 | 0.66 | TXNRD1 (0.36) | — | |
| SCHEMBL868447 | 0.63 | LMNA (0.31) | — | |
| SCHEMBL12169127 | 0.60 | CYP2D6 (0.42) | — |
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 |