⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1883548 | 1.00 | — | — | |
| Bromide SCHEMBL1885917 | 0.94 | HRH3 (0.30) | — | |
| Bromide SCHEMBL1885377 | 0.94 | HRH3 (0.30) | — | |
| Bromide SCHEMBL1881354 | 0.93 | HRH3 (0.31) | — | |
| SCHEMBL1886637 | 0.87 | HRH3 (0.31) | — | |
| Bromide SCHEMBL1882148 | 0.80 | HRH3 (0.33) | — | |
| SCHEMBL9038971 | 0.78 | LMNA (0.38) | — | |
| SCHEMBL1244372 | 0.78 | LMNA (0.38) | — | |
| SCHEMBL1245566 | 0.78 | LMNA (0.38) | — | |
| SCHEMBL1245447 | 0.78 | LMNA (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9260397-B2 | Salts comprising aryl-alkyl-substituted imidazolium and triazolium cations and the use thereof | TECHNISCHE UNIVERSITAET DRESDEN (DE) | 2016-02-16 | — | — | US | disclosed |
| US-20110105761-A1 | Salts Comprising Aryl-Alkyl-Substituted Imidazolium and Triazolium Cations and the Use Thereof | TECHNISCHE UNIVERSITAET DRESDEN (DE) | 2011-05-05 | — | — | US | disclosed |