⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9307954 | 0.90 | — | — | |
| SCHEMBL50213 | 0.87 | ALDH1A1 (0.34) | — | |
| SCHEMBL16430090 | 0.84 | ALDH1A1 (0.36) | — | |
| SCHEMBL143619 | 0.84 | ALDH1A1 (0.36) | — | |
| SCHEMBL28447317 | 0.81 | ALDH1A1 (0.34) | — | |
| SCHEMBL21647283 | 0.80 | — | — | |
| SCHEMBL5597188 | 0.78 | ALDH1A1 (0.33) | — | |
| SCHEMBL515300 | 0.78 | SMN1; SMN2 (0.40) | — | |
| SCHEMBL3295508 | 0.77 | ALDH1A1 (0.33) | — | |
| SCHEMBL27766730 | 0.77 | ALDH1A1 (0.33) | — |
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 |