⚠ 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 SCHEMBL7194591 | 0.90 | — | — | |
| N,N-Dimethylethanaminium SCHEMBL352062 | 0.89 | — | — | |
| N,N-Dimethylethanaminium SCHEMBL16338 | 0.89 | — | — | |
| N,N-Dimethylethanaminium SCHEMBL2146567 | 0.89 | TSHR (0.36) | — | |
| N,N-Dimethylethanaminium SCHEMBL6577702 | 0.84 | — | — | |
| N,N-Dimethylethanaminium SCHEMBL2382280 | 0.84 | — | — | |
| N,N-Dimethylethanaminium SCHEMBL1533641 | 0.84 | — | — | |
| N,N-Dimethylethanaminium SCHEMBL321085 | 0.84 | — | — | |
| N,N-Dimethylethanaminium SCHEMBL1715680 | 0.84 | — | — | |
| N,N-Dimethylethanaminium SCHEMBL672490 | 0.84 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0783589-A1 | TRANSPORTABILITY IMPROVER FOR PULVERIZED COAL | Kao Corporation (JP) | 1997-07-16 | — | — | EP | disclosed |
| WO-1996010093-A1 | TRANSPORTABILITY IMPROVER FOR PULVERIZED COAL | KAO CORPORATION (JP) | 1996-04-04 | — | — | WO | disclosed |