⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4404588 | 1.00 | — | — | |
| SCHEMBL5069133 | 0.84 | — | — | |
| SCHEMBL347443 | 0.81 | — | — | |
| SCHEMBL347444 | 0.80 | CA1 (0.33) | — | |
| SCHEMBL347442 | 0.80 | CA1 (0.33) | — | |
| SCHEMBL4406736 | 0.74 | CTSB (0.38) | — | |
| SCHEMBL4073030 | 0.74 | CTSB (0.38) | — | |
| SCHEMBL169398 | 0.73 | — | — | |
| SCHEMBL16412346 | 0.73 | — | — | |
| SCHEMBL11155839 | 0.72 | CYP3A4 (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-20140073662-A1 | Spirocyclic nitriles as protease inhibitors | SANOFI (FR) | 2014-03-13 | — | — | US | disclosed |
| US-8609681-B2 | Spirocyclic nitriles as protease inhibitors | SANOFI (FR) | 2013-12-17 | — | — | US | disclosed |
| US-20090275523-A1 | Spirocyclic nitriles as protease inhibitors | SANOFI-AVENTIS (FR) | 2009-11-05 | — | — | US | disclosed |