⚠ 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 | |
|---|---|---|---|---|
| N,N-Dimethylethanaminium SCHEMBL4647147 | 1.00 | — | — | |
| N,N-Dimethylethanaminium SCHEMBL4258892 | 0.87 | — | — | |
| N,N-Dimethylethanaminium SCHEMBL964537 | 0.87 | — | — | |
| Methacrylic Acid SCHEMBL619265 | 0.86 | THRB (0.31) | — | |
| N,N-Dimethylethanaminium SCHEMBL27596362 | 0.85 | CA1 (0.31) | — | |
| N,N-Dimethylethanaminium SCHEMBL1377761 | 0.82 | CA2 (0.40) | — | |
| N,N-Dimethylethanaminium SCHEMBL444410 | 0.82 | TET2 (0.37) | — | |
| N,N-Dimethylethanaminium SCHEMBL9484316 | 0.82 | CA2 (0.40) | — | |
| Trimethylammonium SCHEMBL9560355 | 0.80 | FNTA (0.30) | — | |
| N,N-Dimethylethanaminium SCHEMBL28179013 | 0.80 | CA1 (0.39) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1206181-B1 | COMPOSITION CONTAINING AN ACTIVE SUBSTANCE, PRODUCTION AND USE THEREOF | GOLDSCHMIDT AG TH (DE) | 2003-11-12 | — | — | EP | disclosed |
| EP-1206181-A1 | COMPOSITION CONTAINING AN ACTIVE SUBSTANCE, PRODUCTION AND USE THEREOF | Goldschmidt AG (DE) | 2002-05-22 | — | — | EP | disclosed |
| WO-2001010212-A1 | COMPOSITION CONTAINING AN ACTIVE SUBSTANCE, PRODUCTION AND USE THEREOF | GOLDSCHMIDT AG (DE) | 2001-02-15 | — | — | WO | disclosed |