⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL158202 | 0.83 | — | — | |
| SCHEMBL158638 | 0.82 | — | — | |
| SCHEMBL17330324 | 0.79 | — | — | |
| SCHEMBL1247374 | 0.74 | — | — | |
| Methylamine SCHEMBL7601491 | 0.73 | — | — | |
| SCHEMBL384660 | 0.72 | — | — | |
| SCHEMBL144933 | 0.69 | — | — | |
| SCHEMBL8621579 | 0.69 | SLC6A4 (0.33) | — | |
| SCHEMBL4440547 | 0.69 | — | — | |
| SCHEMBL57189 | 0.69 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2126107-A1 | RUTHENIUM PURPLE BIOSENSOR | The University Of Warwick (GB) | 2009-12-02 | — | — | EP | disclosed |
| WO-2008081193-A1 | RUTHENIUM PURPLE BIOSENSOR | THE UNIVERSITY OF WARWICK (GB) | 2008-07-10 | — | — | WO | disclosed |