⚠ 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 SCHEMBL5085974 | 0.99 | — | — | |
| Hydrochloric Acid SCHEMBL5085737 | 0.87 | — | — | |
| SCHEMBL2013003 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL715175 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL5085892 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL2007444 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL712648 | 0.75 | — | — | |
| SCHEMBL3232719 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL712474 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL7608676 | 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-1498178-B1 | Transition metal complex and process for producing the same | SUMITOMO CHEMICAL CO (JP) | 2008-06-11 | — | — | EP | disclosed |