⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23344 | 1.00 | — | — | |
| Ammonia Solution, Strong SCHEMBL478154 | 0.94 | — | — | |
| Trimethylammonium SCHEMBL2150496 | 0.85 | — | — | |
| Ethylamine SCHEMBL16584836 | 0.78 | — | — | |
| SCHEMBL3086582 | 0.78 | — | — | |
| SCHEMBL4424273 | 0.78 | — | — | |
| SCHEMBL322853 | 0.78 | — | — | |
| SCHEMBL9259189 | 0.78 | — | — | |
| SCHEMBL1712620 | 0.78 | — | — | |
| SCHEMBL692230 | 0.78 | — | — |
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-1996031466-A1 | NEW ETHANOLAMINE DERIVATIVES | LABORATORIOS ALMIRALL, S.A. (ES) | 1996-10-10 | — | — | WO | disclosed |