⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17106487 | 0.87 | — | — | |
| SCHEMBL30404213 | 0.87 | — | — | |
| SCHEMBL28106566 | 0.87 | — | — | |
| SCHEMBL74926 | 0.87 | — | — | |
| Methyl Alcohol SCHEMBL5051635 | 0.82 | TSHR (0.30) | — | |
| Rubidium SCHEMBL4810885 | 0.82 | — | — | |
| SCHEMBL28452680 | 0.82 | — | — | |
| SCHEMBL251328 | 0.82 | — | — | |
| SCHEMBL147779 | 0.82 | — | — | |
| SCHEMBL4808123 | 0.82 | — | — |
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-20110082026-A1 | PHOTOCATALYST COMPOSITE AND PHOTOCATALYTIC FUNCTIONAL PRODUCT USING THE SAME | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2011-04-07 | — | — | US | disclosed |