⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14724271 | 0.90 | — | — | |
| SCHEMBL14724322 | 0.88 | CA1 (0.32) | — | |
| SCHEMBL14724320 | 0.84 | CA1 (0.31) | — | |
| SCHEMBL13053797 | 0.78 | ALDH1A1 (0.32) | — | |
| SCHEMBL14724306 | 0.77 | CA2 (0.37) | — | |
| SCHEMBL14724305 | 0.77 | MEN1 (0.38) | — | |
| SCHEMBL14724214 | 0.74 | CA1 (0.30) | — | |
| SCHEMBL14724303 | 0.72 | L3MBTL1 (0.36) | — | |
| SCHEMBL13053806 | 0.70 | — | — | |
| SCHEMBL8900061 | 0.69 | ALDH1A1 (0.43) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8383609-B2 | Phosphorus containing heterocyclic compounds, sugar analogues, and compositions having anti-cancer activity containing the same | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2013-02-26 | — | — | US | disclosed |