⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL711776 | 0.84 | CA12 (0.79) | — | |
| SCHEMBL1509406 | 0.84 | CA12 (0.79) | — | |
| SCHEMBL5807337 | 0.84 | CA12 (0.79) | — | |
| SCHEMBL512882 | 0.81 | CA12 (0.73) | — | |
| SCHEMBL8942689 | 0.81 | CA12 (0.73) | — | |
| SCHEMBL4245159 | 0.81 | — | — | |
| SCHEMBL25342922 | 0.80 | CA12 (1.00) | — | |
| SCHEMBL15797 | 0.80 | CA12 (1.00) | — | |
| SCHEMBL25340653 | 0.80 | CA12 (1.00) | — | |
| Trientine SCHEMBL3840289 | 0.80 | CA12 (1.00) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1109559-C | Stents with radioactive surface coating, its preparing method and use for preventing renarrow | SCHERING AG (DE) | 2003-05-28 | — | — | CN | disclosed |