⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9327886 | 0.58 | HSP90AA1 (0.33) | — | |
| SCHEMBL5538667 | 0.57 | ALDH1A1 (0.35) | — | |
| SCHEMBL2896108 | 0.49 | ALDH1A1 (0.33) | — | |
| SCHEMBL1993425 | 0.41 | MAPK1 (0.43) | — | |
| SCHEMBL6892019 | 0.41 | — | — | |
| SCHEMBL175266 | 0.38 | — | — | |
| SCHEMBL20595026 | 0.38 | — | — | |
| SCHEMBL20595103 | 0.38 | CA1 (0.36) | — | |
| SCHEMBL2363160 | 0.38 | — | — | |
| SCHEMBL9541917 | 0.38 | — | — |
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-20120063976-A1 | METHODS OF REMOVING CARBON DIOXIDE AND SORBENTS FOR SAME | BATTELLE ENERGY ALLIANCE, LLC (US) | 2012-03-15 | — | — | US | disclosed |