⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6289389 | 0.76 | DHFR (0.30) | — | |
| SCHEMBL6701379 | 0.76 | NSD2 (0.33) | — | |
| SCHEMBL6704157 | 0.75 | NR4A2 (0.35) | — | |
| SCHEMBL6818703 | 0.67 | CCNC (0.36) | — | |
| SCHEMBL6818697 | 0.66 | MAPK1 (0.44) | — | |
| SCHEMBL6818691 | 0.66 | CCNC (0.40) | — | |
| SCHEMBL6702239 | 0.64 | MMP13 (0.41) | — | |
| SCHEMBL6289385 | 0.63 | — | — | |
| SCHEMBL6706065 | 0.62 | ALDH1A1 (0.40) | — | |
| SCHEMBL6696654 | 0.61 | MMP13 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20040038994-A1 | Pyrimidine fused bicyclic metalloproteinase inhibitors | WILSON MICHAEL WILLIAM (US) | 2004-02-26 | — | — | US | disclosed |
| WO-2004014916-A1 | PYRIMIDINE FUSED BICYCLIC METALLOPROTEINASE INHIBITORS | WARNER-LAMBERT COMPANY LLC (US) | 2004-02-19 | — | — | WO | disclosed |