⚠ 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 SCHEMBL714468 | 0.96 | — | — | |
| Fluoride Ion SCHEMBL1539624 | 0.70 | — | — | |
| Fluoride Ion SCHEMBL1539732 | 0.68 | — | — | |
| Fluoride Ion SCHEMBL19469145 | 0.68 | — | — | |
| Fluoride Ion SCHEMBL1539709 | 0.68 | — | — | |
| SCHEMBL8770709 | 0.67 | — | — | |
| SCHEMBL19560431 | 0.66 | — | — | |
| Hydrochloric Acid SCHEMBL1539719 | 0.66 | — | — | |
| Iodide SCHEMBL1539737 | 0.66 | — | — | |
| SCHEMBL6252661 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20020143125-A1 | Catalyst component and catalyst system having a high polymerization activity for preparing polymers | KAMINSKY WALTER (DE) | 2002-10-03 | — | — | US | disclosed |