⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22202027 | 0.66 | — | — | |
| SCHEMBL13523518 | 0.64 | — | — | |
| SCHEMBL12554695 | 0.64 | — | — | |
| SCHEMBL15161170 | 0.64 | — | — | |
| SCHEMBL13069510 | 0.64 | — | — | |
| SCHEMBL15032051 | 0.61 | — | — | |
| SCHEMBL9976202 | 0.59 | — | — | |
| SCHEMBL19153283 | 0.59 | — | — | |
| SCHEMBL13915047 | 0.58 | — | — | |
| SCHEMBL12198923 | 0.57 | — | — |
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-20160176802-A1 | Ethyl Benzyl Quaternary Amines of Amido Amines for Improved Antifungal properties | TPAT IP LLC | 2016-06-23 | — | — | US | disclosed |