⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7216364 | 0.66 | — | — | |
| SCHEMBL585497 | 0.62 | — | — | |
| SCHEMBL7870298 | 0.54 | — | — | |
| SCHEMBL10512160 | 0.54 | — | — | |
| Hydrochloric Acid SCHEMBL27414890 | 0.53 | — | — | |
| Iodide SCHEMBL6308805 | 0.53 | — | — | |
| SCHEMBL21515833 | 0.52 | ALDH1A1 (0.33) | — | |
| SCHEMBL30929690 | 0.51 | — | — | |
| SCHEMBL6472372 | 0.51 | — | — | |
| SCHEMBL6510676 | 0.50 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2085395-A1 | Arylvinylazacycloalkane compounds and methods of preparation and use thereof | Targacept, Inc. (US) | 2009-08-05 | — | — | EP | disclosed |