⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13081164 | 0.88 | CA1 (0.30) | — | |
| SCHEMBL12712739 | 0.85 | — | — | |
| SCHEMBL13053810 | 0.84 | CA1 (0.33) | — | |
| SCHEMBL13053806 | 0.82 | — | — | |
| SCHEMBL13053797 | 0.82 | ALDH1A1 (0.32) | — | |
| SCHEMBL13081392 | 0.78 | CA2 (0.39) | — | |
| SCHEMBL26668874 | 0.78 | ALDH1A1 (0.39) | — | |
| SCHEMBL15989468 | 0.78 | ALDH1A1 (0.39) | — | |
| SCHEMBL13053855 | 0.76 | CA1 (0.34) | — | |
| SCHEMBL13053732 | 0.76 | TMEM97 (0.32) | — |
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-20100298272-A1 | PHOSPHORUS CONTAINING HETEROCYCLIC COMPOUNDS, SUGAR ANALOGUES, AND COMPOSITIONS HAVING ANTI-CANCER ACTIVITY CONTAINING THE SAME | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2010-11-25 | — | — | US | disclosed |