⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2229904 | 0.80 | — | — | |
| SCHEMBL12657211 | 0.76 | — | — | |
| SCHEMBL7357714 | 0.74 | — | — | |
| SCHEMBL8572801 | 0.72 | MEN1 (0.70) | — | |
| SCHEMBL5116527 | 0.70 | — | — | |
| SCHEMBL8576605 | 0.70 | DPP4 (0.69) | — | |
| SCHEMBL3079941 | 0.69 | — | — | |
| SCHEMBL5466548 | 0.69 | MEN1 (0.42) | — | |
| SCHEMBL2969315 | 0.68 | — | — | |
| SCHEMBL12645601 | 0.68 | — | — |
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-9072734-B2 | Quaternary ammonium salt compounds | TEIJIN PHARMA LIMITED (JP) | 2015-07-07 | — | — | US | disclosed |
| CN-102459231-A | Quaternary ammonium salt compound | TEIJIN PHARMA LTD | 2012-05-16 | — | — | CN | disclosed |
| EP-2426121-A1 | QUATERNARY AMMONIUM SALT COMPOUND | Teijin Pharma Limited (JP) | 2012-03-07 | — | — | EP | disclosed |
| US-20120046467-A1 | QUATERNARY AMMONIUM SALT COMPOUNDS | TEIJIN PHARMA LIMITED (JP) | 2012-02-23 | — | — | US | disclosed |