⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8056178 | 0.81 | — | — | |
| SCHEMBL9958234 | 0.72 | GRIK1 (0.31) | — | |
| SCHEMBL9142493 | 0.70 | — | — | |
| SCHEMBL12164290 | 0.70 | — | — | |
| SCHEMBL8916714 | 0.70 | — | — | |
| Sulfuric Acid SCHEMBL2852274 | 0.70 | — | — | |
| SCHEMBL436748 | 0.68 | — | — | |
| SCHEMBL2355981 | 0.68 | — | — | |
| SCHEMBL9766372 | 0.68 | — | — | |
| SCHEMBL421992 | 0.67 | TSHR (0.35) | — |
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-0761725-A2 | Laminated polyester film | DIAFOIL HOECHST CO., LTD (JP) | 1997-03-12 | — | — | EP | disclosed |