⚠ 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 SCHEMBL273120 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL31024180 | 0.77 | ALDH1A1 (0.30) | — | |
| Hydrochloric Acid SCHEMBL7717496 | 0.76 | — | — | |
| Fluoride Ion SCHEMBL1130975 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL31024202 | 0.73 | ALDH1A1 (0.32) | — | |
| SCHEMBL5846142 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL216729 | 0.72 | — | — | |
| Iodide SCHEMBL29898423 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL7833569 | 0.72 | — | — | |
| Bromide SCHEMBL29898412 | 0.72 | — | — |
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-1857470-A1 | Metallocene catalyst components supported on activating supports. | TOTAL PETROCHEMICALS RESEARCH FELUY (BE) | 2007-11-21 | — | — | EP | disclosed |