⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13199170 | 0.85 | KDM4E (0.32) | — | |
| SCHEMBL10598219 | 0.85 | KDM4E (0.32) | — | |
| SCHEMBL9345546 | 0.82 | GAA (0.31) | — | |
| SCHEMBL357717 | 0.78 | KDM4E (0.32) | — | |
| SCHEMBL10079110 | 0.78 | ALDH1A1 (0.36) | — | |
| SCHEMBL12766210 | 0.78 | KDM4E (0.32) | — | |
| SCHEMBL9343658 | 0.78 | — | — | |
| SCHEMBL217886 | 0.76 | KDM4E (0.31) | — | |
| SCHEMBL9345587 | 0.75 | GAA (0.31) | — | |
| SCHEMBL217789 | 0.75 | KDM4E (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2604289-B1 | RADIAL SHAPE OF POLYMER COMPOUND CONTAINING IODINE, PREPARATION METHOD THEREOF, AND CT CONTRAST MEDIUM COMPOSITION CONTAINING SAME | KOREA RES INST BIOSCIENCE & BIOTECHNOLOGY (KR) | 2017-08-16 | — | — | EP | disclosed |