⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4876952 | 0.86 | BBOX1 (0.32) | — | |
| Sulfurous Acid SCHEMBL5172760 | 0.77 | BBOX1 (0.31) | — | |
| SCHEMBL1619242 | 0.75 | — | — | |
| SCHEMBL11522331 | 0.75 | — | — | |
| Zinc Ion SCHEMBL11519946 | 0.75 | — | — | |
| Lithium Ion SCHEMBL3701330 | 0.75 | — | — | |
| Potassium Ion SCHEMBL27536427 | 0.75 | — | — | |
| Water SCHEMBL1219279 | 0.72 | — | — | |
| SCHEMBL27627340 | 0.68 | — | — | |
| SCHEMBL7545887 | 0.67 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080033209-A1 | Method For High-Purity Quaternary Ammonium Compounds | BASF AKTIENGSELLSCHAFT (DE) | 2008-02-07 | — | — | US | disclosed |