⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18675 | 0.96 | — | — | |
| SCHEMBL776976 | 0.96 | — | — | |
| SCHEMBL2836890 | 0.96 | — | — | |
| SCHEMBL5934046 | 0.92 | — | — | |
| Bromide SCHEMBL11720937 | 0.92 | — | — | |
| SCHEMBL7638217 | 0.92 | — | — | |
| Fluoride SCHEMBL547535 | 0.92 | — | — | |
| Tetrafluoroethylene SCHEMBL23468 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL11726087 | 0.92 | — | — | |
| SCHEMBL1962501 | 0.92 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20050096238-A1 | Cleaning gas and cleaning method | TAIYO NIPPON SANSO CORPORATION (JP) | 2005-05-05 | — | — | US | disclosed |