⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15452 | 0.84 | — | — | |
| SCHEMBL16104649 | 0.84 | — | — | |
| SCHEMBL3075465 | 0.84 | — | — | |
| Iodide SCHEMBL1832977 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL2328661 | 0.81 | — | — | |
| Bromide SCHEMBL437926 | 0.81 | — | — | |
| Ammonia Solution, Strong SCHEMBL10685077 | 0.81 | — | — | |
| Iodide SCHEMBL3901701 | 0.77 | ALDH1A1 (0.39) | — | |
| Hydrochloric Acid SCHEMBL3901710 | 0.77 | — | — | |
| SCHEMBL1557227 | 0.76 | ALDH1A1 (0.31) | — |
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-1773866-A4 | USE OF METAL COMPLEXES | BIO LAYER PTY LTD (AU) | 2009-04-01 | — | — | EP | disclosed |
| EP-1773866-A1 | USE OF METAL COMPLEXES | Bio-Layer Pty Limited (AU) | 2007-04-18 | — | — | EP | disclosed |
| WO-2006002472-A1 | USE OF METAL COMPLEXES | BIO-LAYER PTY LTD (AU) | 2006-01-12 | — | — | WO | disclosed |