⚠ 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 | |
|---|---|---|---|---|
| Ethylamine SCHEMBL1793 | 0.82 | — | — | |
| Ethylamine SCHEMBL1331327 | 0.82 | — | — | |
| Ethylamine SCHEMBL854887 | 0.82 | — | — | |
| Propylamine SCHEMBL11737061 | 0.80 | — | — | |
| Ethylamine SCHEMBL1048625 | 0.76 | — | — | |
| Ethylamine SCHEMBL11552124 | 0.76 | DNM1 (0.33) | — | |
| Ethylamine SCHEMBL9800964 | 0.76 | — | — | |
| Ethylamine SCHEMBL21929766 | 0.76 | — | — | |
| Ethylamine SCHEMBL9536330 | 0.76 | DNM1 (0.40) | — | |
| Ethylamine SCHEMBL6034117 | 0.76 | DNM1 (0.33) | — |
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-2018160952-A1 | HYDROPHOBIC SORBENTS FOR CO2/H2O DISPLACEMENT DESORPTION APPLICATIONS | EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) | 2018-09-07 | — | — | WO | disclosed |