⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL678333 | 0.84 | — | — | |
| SCHEMBL7028994 | 0.71 | — | — | |
| SCHEMBL677966 | 0.68 | — | — | |
| SCHEMBL5476601 | 0.67 | — | — | |
| SCHEMBL7282901 | 0.67 | — | — | |
| SCHEMBL6580989 | 0.67 | — | — | |
| SCHEMBL6358981 | 0.67 | — | — | |
| SCHEMBL5454723 | 0.67 | — | — | |
| SCHEMBL9262395 | 0.67 | — | — | |
| SCHEMBL31216270 | 0.67 | — | — |
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-0725797-A1 | BIVALENT THROMBIN INHIBITORS | NATIONAL RESEARCH COUNCIL OF CANADA (CA) | 1996-08-14 | — | — | EP | claimed |
| WO-1995011921-A1 | BIVALENT THROMBIN INHIBITORS | NATIONAL RESEARCH COUNCIL OF CANADA (CA) | 1995-05-04 | — | — | WO | claimed |
| EP-0725797-A1 | BIVALENT THROMBIN INHIBITORS | NATIONAL RESEARCH COUNCIL OF CANADA (CA) | 1996-08-14 | — | — | EP | disclosed |
| WO-1995011921-A1 | BIVALENT THROMBIN INHIBITORS | NATIONAL RESEARCH COUNCIL OF CANADA (CA) | 1995-05-04 | — | — | WO | disclosed |