⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8750955 | 0.90 | — | — | |
| SCHEMBL10495960 | 0.78 | — | — | |
| SCHEMBL777328 | 0.78 | — | — | |
| SCHEMBL16099121 | 0.74 | — | — | |
| SCHEMBL14993358 | 0.70 | — | — | |
| SCHEMBL7106856 | 0.65 | — | — | |
| SCHEMBL1187600 | 0.65 | — | — | |
| SCHEMBL4612213 | 0.65 | — | — | |
| SCHEMBL28491452 | 0.64 | — | — | |
| SCHEMBL776961 | 0.61 | — | — |
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-1784380-A1 | METHOD FOR HIGH-PURITY QUATERNARY AMMONIUM COMPOUNDS | BASF AKTIENGESELLSCHAFT (DE) | 2007-05-16 | — | — | EP | disclosed |
| WO-2006021304-A1 | METHOD FOR HIGH-PURITY QUATERNARY AMMONIUM COMPOUNDS | BASF AKTIENGESELLSCHAFT (DE) | 2006-03-02 | — | — | WO | disclosed |