⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4267114 | 0.93 | CYP3A4 (0.30) | — | |
| SCHEMBL1592774 | 0.90 | CYP3A4 (0.32) | — | |
| SCHEMBL1592356 | 0.86 | CYP3A4 (0.33) | — | |
| SCHEMBL4279715 | 0.86 | CYP3A4 (0.33) | — | |
| SCHEMBL2323265 | 0.82 | CYP3A4 (0.33) | — | |
| SCHEMBL2321395 | 0.78 | CYP3A4 (0.35) | — | |
| SCHEMBL4266447 | 0.78 | CYP3A4 (0.35) | — | |
| SCHEMBL2330464 | 0.77 | CYP3A4 (0.31) | — | |
| SCHEMBL4279878 | 0.75 | TSHR (0.31) | — | |
| SCHEMBL4270920 | 0.75 | THRB (0.31) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8362289-B2 | Mixture for recovery utilization or transfer of carbon dioxide | ASAHI KASEI CHEMICALS CORPORATION (JP) | 2013-01-29 | — | — | US | disclosed |
| EP-2006013-B1 | MIXTURE FOR CARBON DIOXIDE RECOVERY/UTILIZATION AND TRANSPORTATION | ASAHI KASEI CHEMICALS CORP (JP) | 2013-01-02 | — | — | EP | disclosed |
| EP-2006013-A9 | MIXTURE FOR CARBON DIOXIDE RECOVERY/UTILIZATION AND TRANSPORTATION | Asahi Kasei Chemicals Corporation (JP) | 2009-07-22 | — | — | EP | disclosed |
| US-20090169461-A1 | Mixture For Recovery Utilization Or Transfer Of Carbon Dioxide | ASAHI KASEI KABUSHIKI KAISHA (JP) | 2009-07-02 | — | — | US | disclosed |
| EP-2006013-A2 | MIXTURE FOR CARBON DIOXIDE RECOVERY/UTILIZATION AND TRANSPORTATION | Asahi Kasei Chemicals Corporation (JP) | 2008-12-24 | — | — | EP | disclosed |