⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL597117 | 0.87 | — | — | |
| SCHEMBL348778 | 0.72 | — | — | |
| SCHEMBL78004 | 0.72 | — | — | |
| SCHEMBL7661380 | 0.72 | — | — | |
| SCHEMBL1307873 | 0.72 | — | — | |
| SCHEMBL3218192 | 0.70 | — | — | |
| SCHEMBL3930783 | 0.70 | NAAA (0.48) | — | |
| SCHEMBL12347748 | 0.69 | POLB (0.35) | — | |
| SCHEMBL21936377 | 0.69 | POLB (0.38) | — | |
| SCHEMBL25097417 | 0.69 | NAAA (0.31) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1109787-B1 | ARYLPIPERAZINES AND THEIR USE AS METALLOPROTEINASE INHIBITING AGENTS (MMP) | ASTRAZENECA AB (SE) | 2006-05-17 | — | — | EP | claimed |