⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6558461 | 0.74 | RRM1 (0.33) | — | |
| SCHEMBL6558467 | 0.73 | MEN1 (0.31) | — | |
| SCHEMBL6558880 | 0.71 | REN (0.32) | — | |
| SCHEMBL6558459 | 0.68 | ADAM17 (0.35) | — | |
| SCHEMBL6558839 | 0.68 | PSENEN (0.36) | — | |
| SCHEMBL8001329 | 0.68 | CAPN1 (0.35) | — | |
| SCHEMBL6558829 | 0.67 | MMP1 (0.32) | — | |
| SCHEMBL6558973 | 0.67 | PSENEN (0.36) | — | |
| SCHEMBL6558456 | 0.66 | PSENEN (0.37) | — | |
| SCHEMBL6558475 | 0.66 | PSENEN (0.32) | — |
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-0948523-B1 | PEPTIDOMIMETIC INHIBITORS OF THE HUMAN CYTOMEGALOVIRUS PROTEASE | BOEHRINGER INGELHEIM CA LTD (CA) | 2004-03-17 | — | — | EP | disclosed |