⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28841374 | 1.00 | — | — | |
| Iodide SCHEMBL15488480 | 0.98 | — | — | |
| SCHEMBL16696552 | 0.90 | ALDH1A1 (0.31) | — | |
| SCHEMBL4905007 | 0.90 | ALDH1A1 (0.31) | — | |
| SCHEMBL16696532 | 0.90 | ALDH1A1 (0.31) | — | |
| SCHEMBL16696568 | 0.90 | ALDH1A1 (0.31) | — | |
| Iodide SCHEMBL612889 | 0.88 | ALDH1A1 (0.31) | — | |
| Iodide SCHEMBL1027958 | 0.88 | ALDH1A1 (0.31) | — | |
| Iodide SCHEMBL1025190 | 0.88 | ALDH1A1 (0.31) | — | |
| SCHEMBL898866 | 0.88 | ALDH1A1 (0.36) | — |
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-2655385-A1 | NOVEL PLATINUM-CARBENE COMPLEXES AND USE THEREOF AS MEDICAMENTS | Centre National De La Recherche Scientifique (FR) | 2013-10-30 | — | — | EP | disclosed |
| WO-2012085475-A1 | NOVEL PLATINUM-CARBENE COMPLEXES AND USE THEREOF AS MEDICAMENTS | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2012-06-28 | — | — | WO | disclosed |