⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4448278 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL715151 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL2388307 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL714737 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL3680851 | 0.79 | — | — | |
| SCHEMBL4421381 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL712555 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL6351711 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL7940755 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL5604204 | 0.74 | — | — |
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-2199297-A1 | TRANSITION METAL ION COMPLEX, METHOD FOR PRODUCING THE SAME, AND METHOD FOR PRODUCING POLYMER | Sumitomo Chemical Company, Limited (JP) | 2010-06-23 | — | — | EP | disclosed |