⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL2778159 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL442316 | 0.67 | NFKB1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL6472171 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL3733827 | 0.64 | — | — | |
| SCHEMBL9063975 | 0.60 | — | — | |
| Hydrochloric Acid SCHEMBL6470148 | 0.59 | — | — | |
| Hydrochloric Acid SCHEMBL445716 | 0.57 | — | — | |
| SCHEMBL7189355 | 0.57 | — | — | |
| SCHEMBL32678649 | 0.55 | — | — | |
| SCHEMBL32678647 | 0.55 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0648786-B1 | Process for producing alpha-olefin polymer | TOSOH CORP (JP) | 1997-07-16 | — | — | EP | disclosed |
| EP-0648786-A1 | Process for producing alpha-olefin polymer | Tosoh Corporation (JP) | 1995-04-19 | — | — | EP | disclosed |