⚠ 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 SCHEMBL2146567 | 0.94 | TSHR (0.36) | — | |
| N,N-Dimethylethanaminium SCHEMBL16338 | 0.94 | — | — | |
| N,N-Dimethylethanaminium SCHEMBL352062 | 0.94 | — | — | |
| N,N-Dimethylethanaminium SCHEMBL435643 | 0.89 | — | — | |
| N,N-Dimethylethanaminium SCHEMBL2382280 | 0.89 | — | — | |
| N,N-Dimethylethanaminium SCHEMBL1533641 | 0.89 | — | — | |
| N,N-Dimethylethanaminium SCHEMBL1715680 | 0.89 | — | — | |
| N,N-Dimethylethanaminium SCHEMBL321085 | 0.89 | — | — | |
| N,N-Dimethylethanaminium SCHEMBL6577702 | 0.89 | — | — | |
| N,N-Dimethylethanaminium SCHEMBL1191100 | 0.89 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8063135-B2 | Mixture of polyamide and fluoropolymer | SOLVAY (SOCIETE ANONYME) (BE) | 2011-11-22 | — | — | US | disclosed |
| US-20050070659-A1 | Water-based polymer composition and articles made therefrom | SOLVAY (SOCIETE ANONYME) (BE) | 2005-03-31 | — | — | US | disclosed |
| US-4151197-A | OF ACRYLONITRILE IN PRESENCE OF COBALT OR ZINC SULFONATE AND LEWIS BASE | HALCON INTERNATIONAL, INC. (US) | 1979-04-24 | — | — | US | disclosed |
| US-3954831-A | OF ACRYLONITRILE | HALCON INTERNATIONAL, INC. (US) | 1976-05-04 | — | — | US | disclosed |