⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29076991 | 0.90 | ALDH1A1 (0.52) | — | |
| SCHEMBL19757743 | 0.82 | — | — | |
| SCHEMBL26250428 | 0.82 | ALDH1A1 (0.73) | — | |
| SCHEMBL10880550 | 0.82 | ALDH1A1 (0.73) | — | |
| SCHEMBL1268269 | 0.75 | ALDH1A1 (1.00) | — | |
| SCHEMBL23340172 | 0.74 | — | — | |
| SCHEMBL585166 | 0.74 | — | — | |
| SCHEMBL11127670 | 0.74 | ALDH1A1 (0.61) | — | |
| SCHEMBL2059039 | 0.74 | — | — | |
| SCHEMBL8011452 | 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-2251596-A1 | METHOD OF SUPPLYING CARBON DIOXIDE TO OXYGEN COMBUSTION BOILER AND APPARATUS FOR SUPPLYING CARBON DIOXIDE | IHI Corporation (JP) | 2010-11-17 | — | — | EP | disclosed |