⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27780 | 0.76 | — | — | |
| Ammonia Solution, Strong SCHEMBL1579773 | 0.75 | ALDH1A1 (0.43) | — | |
| SCHEMBL1446337 | 0.73 | SMN1; SMN2 (0.46) | — | |
| SCHEMBL21711068 | 0.72 | SMN1; SMN2 (0.41) | — | |
| SCHEMBL20656243 | 0.69 | SCN9A (0.40) | — | |
| SCHEMBL12293892 | 0.69 | — | — | |
| SCHEMBL471725 | 0.69 | ALOX15 (0.41) | — | |
| SCHEMBL4532617 | 0.68 | ALDH1A1 (0.40) | — | |
| SCHEMBL15075698 | 0.67 | EPHX2 (0.39) | — | |
| SCHEMBL21389347 | 0.67 | ALDH1A1 (0.34) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11135544-B2 | Acidic gas absorbent, acidic gas removal method and acidic gas removal apparatus | KABUSHIKI KAISHA TOSHIBA (JP) | 2021-10-05 | — | — | US | disclosed |
| US-20200047110-A1 | ACIDIC GAS ABSORBENT, ACIDIC GAS REMOVAL METHOD AND ACIDIC GAS REMOVAL APPARATUS | KABUSHIKI KAISHA TOSHIBA (JP) | 2020-02-13 | — | — | US | disclosed |