⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15326573 | 0.65 | — | — | |
| SCHEMBL14791724 | 0.55 | — | — | |
| SCHEMBL449043 | 0.55 | — | — | |
| SCHEMBL525718 | 0.55 | — | — | |
| SCHEMBL25497711 | 0.53 | — | — | |
| SCHEMBL5173977 | 0.53 | — | — | |
| Hydrochloric Acid SCHEMBL9233649 | 0.52 | — | — | |
| SCHEMBL8197872 | 0.52 | — | — | |
| SCHEMBL21356236 | 0.52 | — | — | |
| SCHEMBL4206230 | 0.52 | — | — |
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-20110250616-A1 | ELECTROACTIVE SURFACE-CONFINABLE MOLECULES | BAMDAD CYNTHIA C | 2011-10-13 | — | — | US | disclosed |