⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1857246 | 1.00 | — | — | |
| SCHEMBL371486 | 1.00 | CA1 (0.53) | — | |
| SCHEMBL3339455 | 1.00 | CA1 (0.53) | — | |
| SCHEMBL1849613 | 1.00 | CA1 (0.53) | — | |
| SCHEMBL740271 | 1.00 | — | — | |
| SCHEMBL560334 | 1.00 | CA1 (0.53) | — | |
| SCHEMBL594309 | 1.00 | CA1 (0.53) | — | |
| SCHEMBL765400 | 1.00 | — | — | |
| SCHEMBL13894718 | 1.00 | CA1 (0.53) | — | |
| SCHEMBL1773898 | 1.00 | CA1 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1577301-B1 | Antithrombotic diaminocyclohexane derivatives | DAIICHI SANKYO CO LTD (JP) | 2012-09-12 | — | — | EP | disclosed |
| US-20100099660-A1 | METHOD FOR TREATING THROMBOSIS OR EMBOLISM AND RELATED DISEASES | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2010-04-22 | — | — | US | disclosed |
| EP-1577301-A1 | DIAMINE DERIVATIVES | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2005-09-21 | — | — | EP | disclosed |