⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4812814 | 0.86 | — | — | |
| SCHEMBL1381917 | 0.83 | — | — | |
| SCHEMBL88328 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL7803378 | 0.80 | — | — | |
| Ethane SCHEMBL4793720 | 0.77 | ALDH1A1 (0.35) | — | |
| SCHEMBL19350246 | 0.77 | — | — | |
| SCHEMBL529337 | 0.76 | ALDH1A1 (0.31) | — | |
| SCHEMBL526565 | 0.76 | ALDH1A1 (0.31) | — | |
| Propane SCHEMBL9717196 | 0.75 | TSHR (0.33) | — | |
| SCHEMBL7125042 | 0.71 | ALDH1A1 (0.35) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8541628-B2 | cytofectins; delivering an anionic molecule into a cell by complexing with cationic lipids of invention | VICAL INCORPORATED (US) | 2013-09-24 | — | — | US | disclosed |
| US-20040171572-A1 | Complex cationic lipids having quaternary nitrogens therein | WHEELER CARL J (US) | 2004-09-02 | — | — | US | disclosed |
| US-6670332-B1 | Cytofectins comprising complex amphiphilic lipids in which a bioactive agent which is recognized by biological systems is joined to a Rosenthal Inhibitor core structure through an alkyl linking group | VICAL INCORPORATED | 2003-12-30 | — | — | US | disclosed |