⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20860629 | 0.67 | — | — | |
| SCHEMBL23969714 | 0.63 | — | — | |
| SCHEMBL21912902 | 0.63 | ADORA1 (0.39) | — | |
| SCHEMBL24633545 | 0.61 | DRD4 (0.36) | — | |
| SCHEMBL29342322 | 0.60 | DRD4 (0.33) | — | |
| SCHEMBL15903166 | 0.58 | — | — | |
| SCHEMBL21913049 | 0.57 | — | — | |
| SCHEMBL23685916 | 0.56 | — | — | |
| SCHEMBL22298378 | 0.56 | GPR3 (0.45) | — | |
| SCHEMBL2402912 | 0.55 | DRD4 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023287043-A1 | CARBON DIOXIDE ABSORBENT COMPRISING IONIC LIQUID AND ALCOHOL SOLVENT, AND METHOD FOR SEPARATING CARBON DIOXIDE USING SAME | 에스케이이노베이션 주식회사 | 2023-01-19 | — | — | WO | disclosed |