⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6558827 | 0.91 | ECE1 (0.30) | — | |
| SCHEMBL6558510 | 0.82 | TASP1 (0.31) | — | |
| SCHEMBL6558480 | 0.78 | BACE1 (0.37) | — | |
| SCHEMBL6558560 | 0.72 | BACE1 (0.35) | — | |
| SCHEMBL6558747 | 0.68 | BACE1 (0.42) | — | |
| SCHEMBL6559672 | 0.68 | GNPAT (0.37) | — | |
| SCHEMBL7307375 | 0.65 | SMN1; SMN2 (0.41) | — | |
| SCHEMBL6558843 | 0.61 | BACE1 (0.38) | — | |
| SCHEMBL14378270 | 0.61 | EPHX1 (0.32) | — | |
| SCHEMBL21422285 | 0.60 | ECE1 (0.53) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0948523-A1 | PEPTIDOMIMETIC INHIBITORS OF THE HUMAN CYTOMEGALOVIRUS PROTEASE | BOEHRINGER INGELHEIM (CANADA) LTD. (CA) | 1999-10-13 | — | — | EP | claimed |
| WO-1998029435-A1 | PEPTIDOMIMETIC INHIBITORS OF THE HUMAN CYTOMEGALOVIRUS PROTEASE | BOEHRINGER INGELHEIM (CANADA) LTD. (CA) | 1998-07-09 | — | — | WO | claimed |
| EP-0948523-B1 | PEPTIDOMIMETIC INHIBITORS OF THE HUMAN CYTOMEGALOVIRUS PROTEASE | BOEHRINGER INGELHEIM CA LTD (CA) | 2004-03-17 | — | — | EP | disclosed |
| US-6291640-B1 | OLIGOPEPTIDES; SOLID PHASE SYNTHESIS | BOEHRINGER INGELHEIM LTD. (CA) | 2001-09-18 | — | — | US | disclosed |