⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13858944 | 0.52 | — | — | |
| SCHEMBL16791395 | 0.50 | — | — | |
| SCHEMBL31064895 | 0.45 | — | — | |
| SCHEMBL8351884 | 0.41 | — | — | |
| SCHEMBL3888120 | 0.37 | — | — | |
| SCHEMBL444487 | 0.34 | — | — | |
| SCHEMBL702020 | 0.32 | — | — | |
| Formic Acid SCHEMBL12361979 | 0.32 | — | — | |
| SCHEMBL216115 | 0.30 | — | — | |
| SCHEMBL3504454 | 0.30 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7125870-B2 | Isoxazoline derivatives as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme | BRISTOL-MYERS SQUIBB COMPANY (US) | 2006-10-24 | — | — | US | disclosed |
| US-20040122005-A1 | Isoxazoline derivatives as inhibitors of matrix metalloproteinases and/or TNF-alpha converting enzyme | BRISTOL-MYERS SQUIBB COMPANY | 2004-06-24 | — | — | US | disclosed |
| WO-2004043349-A2 | ISOXAZOLINE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-ALPHA CONVERTING ENZYME | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-05-27 | — | — | WO | disclosed |