⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL482881 | 0.93 | — | — | |
| Charcoal, Activated SCHEMBL7169533 | 0.88 | — | — | |
| SCHEMBL31555692 | 0.86 | — | — | |
| Carbon Dioxide SCHEMBL75865 | 0.68 | — | — | |
| SCHEMBL6941843 | 0.67 | — | — | |
| Carbon Dioxide SCHEMBL10762939 | 0.62 | — | — | |
| SCHEMBL7524249 | 0.62 | — | — | |
| Carbon Dioxide SCHEMBL10425392 | 0.62 | — | — | |
| Carbon Dioxide SCHEMBL3988546 | 0.62 | — | — | |
| Carbon Dioxide SCHEMBL6551960 | 0.62 | — | — |
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-20120088700-A1 | Inhibiting Carbon Dioxide Induced Deposition | CHAMPION TECHNOLOGIES, INC. (US) | 2012-04-12 | — | — | US | disclosed |