⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL968901 | 0.80 | MEN1 (0.34) | — | |
| SCHEMBL8444703 | 0.80 | — | — | |
| SCHEMBL12820212 | 0.76 | — | — | |
| SCHEMBL1668359 | 0.75 | — | — | |
| SCHEMBL905305 | 0.75 | — | — | |
| SCHEMBL24385392 | 0.74 | — | — | |
| SCHEMBL2529606 | 0.72 | — | — | |
| SCHEMBL12066301 | 0.70 | ESR2 (0.33) | — | |
| SCHEMBL13901139 | 0.70 | CHRM2 (0.33) | — | |
| SCHEMBL12374764 | 0.69 | CHRM2 (0.35) | — |
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 |