⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17207288 | 0.67 | — | — | |
| N,N-Dimethylethanaminium SCHEMBL31202621 | 0.57 | — | — | |
| N,N-Dimethylethanaminium SCHEMBL31202732 | 0.57 | — | — | |
| Propionitrile SCHEMBL10189197 | 0.55 | — | — | |
| Propionitrile SCHEMBL10163105 | 0.55 | — | — | |
| N,N-Dimethylethanaminium SCHEMBL30483442 | 0.55 | — | — | |
| N,N-Dimethylethanaminium SCHEMBL31202546 | 0.55 | — | — | |
| N,N-Dimethylethanaminium SCHEMBL31202690 | 0.55 | — | — | |
| N,N-Dimethylethanaminium SCHEMBL30483459 | 0.53 | — | — | |
| SCHEMBL1332368 | 0.51 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1705482-B1 | METHOD OF DETECTION, SEPARATION AND IDENTIFICATION FOR EXPRESSED TRACE PROTEIN/PEPTIDE | IMAI KAZUHIRO (JP) | 2017-09-27 | — | — | EP | disclosed |
| US-8796037-B2 | Method of detection, separation and identification for expressed trace protein/peptide | IMAI KAZUHIRO (JP) | 2014-08-05 | — | — | US | disclosed |
| US-20080280316-A1 | Mass spectrometry; liquid chromatography; automatic fractionation | IMAI KAZUHIRO | 2008-11-13 | — | — | US | disclosed |
| EP-1705482-A2 | METHOD OF DETECTION, SEPARATION AND IDENTIFICATION FOR EXPRESSED TRACE PROTEIN/PEPTIDE | Imai, Kazuhiro (JP) | 2006-09-27 | — | — | EP | disclosed |