⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7529351 | 0.81 | DHFR (0.34) | — | |
| SCHEMBL13824719 | 0.75 | — | — | |
| Fluoride Ion SCHEMBL11602272 | 0.73 | ACHE (0.41) | — | |
| SCHEMBL12168681 | 0.72 | MMP14 (0.43) | — | |
| SCHEMBL13329 | 0.71 | — | — | |
| SCHEMBL1641881 | 0.70 | — | — | |
| SCHEMBL12091672 | 0.70 | — | — | |
| SCHEMBL12052736 | 0.70 | — | — | |
| SCHEMBL2915809 | 0.70 | — | — | |
| SCHEMBL29956190 | 0.70 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |
| EP-1901748-B1 | ANGIOGENESIS INHIBITORS | ONCALIS AG (CH) | 2010-09-08 | — | — | EP | disclosed |
| EP-1765351-B9 | PROTEIN KINASE INHIBITORS | ONCALIS AG (CH) | 2010-03-24 | — | — | EP | disclosed |
| EP-1765351-B1 | PROTEIN KINASE INHIBITORS | ONCALIS AG (CH) | 2009-03-04 | — | — | EP | disclosed |