⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8155936 | 0.73 | HTR6 (0.42) | — | |
| Hydrochloric Acid SCHEMBL1115890 | 0.73 | — | — | |
| Bromide SCHEMBL7921895 | 0.72 | KDM4E (0.30) | — | |
| Hydrochloric Acid SCHEMBL7929233 | 0.72 | — | — | |
| Bromide SCHEMBL7928024 | 0.72 | KDM4E (0.30) | — | |
| Bromide SCHEMBL7930673 | 0.72 | KDM4E (0.30) | — | |
| Butane SCHEMBL7933877 | 0.72 | — | — | |
| Butane SCHEMBL7921913 | 0.72 | — | — | |
| Iodide SCHEMBL7921898 | 0.72 | — | — | |
| Butane SCHEMBL7931455 | 0.72 | — | — |
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-0985673-B1 | Modified aluminium oxy compound, polymerization catalyst and process for producing olefin polymer and alkenyl aromatic hydrocarbon polymer | SUMITOMO CHEMICAL CO (JP) | 2006-11-22 | — | — | EP | disclosed |