⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8418058 | 0.98 | — | — | |
| SCHEMBL7591791 | 0.97 | — | — | |
| SCHEMBL7591425 | 0.90 | — | — | |
| SCHEMBL8416164 | 0.87 | — | — | |
| SCHEMBL7589131 | 0.84 | HDAC3 (0.34) | — | |
| SCHEMBL8415174 | 0.80 | — | — | |
| SCHEMBL8416162 | 0.80 | — | — | |
| SCHEMBL8416621 | 0.78 | HDAC3 (0.31) | — | |
| SCHEMBL8416155 | 0.76 | LMNA (0.39) | — | |
| SCHEMBL8417958 | 0.75 | — | — |
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-0782564-B1 | IODINATED X-RAY CONTRAST MEDIA | NYCOMED IMAGING AS (NO) | 1999-09-01 | — | — | EP | disclosed |