⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7019989 | 1.00 | — | — | |
| SCHEMBL7014384 | 0.88 | — | — | |
| SCHEMBL7014385 | 0.88 | — | — | |
| SCHEMBL7022079 | 0.81 | ADORA2B (0.30) | — | |
| SCHEMBL7022074 | 0.81 | ADORA2B (0.30) | — | |
| SCHEMBL7020736 | 0.75 | — | — | |
| SCHEMBL7020738 | 0.75 | — | — | |
| SCHEMBL7019920 | 0.73 | — | — | |
| SCHEMBL7012478 | 0.73 | ADORA3 (0.33) | — | |
| SCHEMBL7012482 | 0.73 | ADORA3 (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 |
|---|---|---|---|---|---|---|---|
| WO-2003089416-A1 | SUBSTITUTED PYRIMIDINE-2,4(1H,3H)-DIONES FOR USE AS MATRIX METALLOPROTEINASE (MMP) INHIBITORS | IBFB GMBH (DE) | 2003-10-30 | — | — | WO | disclosed |
| EP-1357114-A1 | Substituted pyrimidin-2,4(1H,3H)-diones as inhibitors of Matrix Metalloproteinases (MMP) | IBFB GmbH Privates Institut für biomedizinische Forschung und Beratung (DE) | 2003-10-29 | — | — | EP | disclosed |