⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL720967 | 0.93 | — | — | |
| SCHEMBL15540 | 0.91 | — | — | |
| SCHEMBL29107209 | 0.88 | — | — | |
| SCHEMBL22837 | 0.88 | — | — | |
| SCHEMBL28235810 | 0.88 | — | — | |
| SCHEMBL284612 | 0.88 | — | — | |
| Methyl Alcohol SCHEMBL28930449 | 0.86 | — | — | |
| Alcohol SCHEMBL28280243 | 0.84 | — | — | |
| Methyl Alcohol SCHEMBL28295123 | 0.83 | — | — | |
| Alcohol SCHEMBL28287486 | 0.81 | ALDH1A1 (0.30) | — |
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 |