⚠ 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 SCHEMBL5372561 | 0.99 | — | — | |
| Hydrochloric Acid SCHEMBL2922613 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL2919892 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL2924305 | 0.84 | — | — | |
| SCHEMBL4413979 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL2384226 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL2918948 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL2089569 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL5602747 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL1900998 | 0.65 | — | — |
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-1475383-B1 | TRANSITION METAL COMPLEXES, LIGANDS, POLYMERIZATION CATALYSTS FOR OLEFINS, AND PROCESS FOR PRODUCTION OF OLEFIN POLYMERS | SUMITOMO CHEMICAL CO (JP) | 2010-09-08 | — | — | EP | disclosed |