⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19075324 | 0.95 | — | — | |
| SCHEMBL9453151 | 0.95 | — | — | |
| SCHEMBL19068079 | 0.95 | — | — | |
| SCHEMBL6536997 | 0.91 | — | — | |
| SCHEMBL20647859 | 0.91 | — | — | |
| SCHEMBL9791504 | 0.91 | — | — | |
| SCHEMBL19114680 | 0.91 | — | — | |
| SCHEMBL18492988 | 0.91 | — | — | |
| SCHEMBL1648918 | 0.91 | — | — | |
| SCHEMBL8636899 | 0.91 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2521711-B1 | QUATERNARY AMMONIUM SALT PRODRUGS | ALKERMES PHARMA IRELAND LTD (IE) | 2017-08-16 | — | — | EP | disclosed |
| US-9670200-B2 | Quaternary ammonium salt prodrugs | ALKERMES PHARMA IRELAND LIMITED (IE) | 2017-06-06 | — | — | US | disclosed |
| US-20110178068-A1 | Quaternary Ammonium Salt Prodrugs | ALKERMES, INC. (US) | 2011-07-21 | — | — | US | disclosed |
| US-20050233905-A1 | Method of improving yield and vigor of plants | MONSANTO TECHNOLOGY, L.L.C. (US) | 2005-10-20 | — | — | US | disclosed |