⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9455385 | 0.67 | — | — | |
| SCHEMBL11917289 | 0.67 | — | — | |
| SCHEMBL23829908 | 0.66 | CYP1A2 (0.33) | — | |
| SCHEMBL11457277 | 0.66 | — | — | |
| SCHEMBL8060963 | 0.63 | — | — | |
| SCHEMBL21316206 | 0.61 | — | — | |
| SCHEMBL1565948 | 0.61 | — | — | |
| SCHEMBL92847 | 0.61 | — | — | |
| SCHEMBL16918470 | 0.61 | — | — | |
| SCHEMBL21841410 | 0.61 | — | — |
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-2520568-A1 | Spirocyclic nitriles as inhibitors of protease | SANOFI (FR) | 2012-11-07 | — | — | EP | disclosed |