⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4524882 | 0.81 | — | — | |
| SCHEMBL4525398 | 0.78 | — | — | |
| SCHEMBL9394880 | 0.73 | — | — | |
| SCHEMBL2231935 | 0.73 | ALDH1A1 (0.41) | — | |
| SCHEMBL4524073 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL10623207 | 0.71 | — | — | |
| SCHEMBL8903049 | 0.71 | — | — | |
| SCHEMBL12190479 | 0.69 | ALDH1A1 (0.32) | — | |
| SCHEMBL10831980 | 0.67 | ALDH1A1 (0.35) | — | |
| SCHEMBL26668772 | 0.65 | — | — |
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-20160175770-A1 | METHOD AND SYSTEM FOR CARBON DIOXIDE DESORPTION | UNITED STATES DEPARTMENT OF ENERGY | 2016-06-23 | — | — | US | disclosed |