⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL42967 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL563782 | 0.94 | — | — | |
| SCHEMBL17743430 | 0.94 | — | — | |
| Water SCHEMBL10853319 | 0.94 | — | — | |
| Fluoride SCHEMBL28171923 | 0.94 | — | — | |
| Acetic Acid SCHEMBL1808869 | 0.88 | SLC6A1 (0.50) | — | |
| Sulfuric Acid SCHEMBL29446121 | 0.86 | SLC6A1 (0.48) | — | |
| Phosphoric Acid SCHEMBL28182962 | 0.86 | SLC6A1 (0.48) | — | |
| SCHEMBL1117719 | 0.85 | CYP2D6 (0.54) | — | |
| SCHEMBL1954666 | 0.85 | SLC6A1 (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-2271643-A1 | COMPOUNDS | Glaxo Group Limited (GB) | 2011-01-12 | — | — | EP | disclosed |