⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8224561 | 0.92 | — | — | |
| Cyclohexane SCHEMBL28116944 | 0.83 | MAPT (0.37) | — | |
| SCHEMBL248542 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL10703944 | 0.80 | — | — | |
| Cysteamine SCHEMBL27578993 | 0.67 | CYP3A4 (0.33) | — | |
| SCHEMBL5545635 | 0.65 | — | — | |
| SCHEMBL244998 | 0.65 | — | — | |
| SCHEMBL2911244 | 0.65 | — | — | |
| SCHEMBL2911246 | 0.65 | — | — | |
| SCHEMBL5970385 | 0.59 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022112351-A1 | HERBICIDAL MALONAMIDES | BASF SE (DE) | 2022-06-02 | — | — | WO | disclosed |
| US-20140073662-A1 | Spirocyclic nitriles as protease inhibitors | SANOFI (FR) | 2014-03-13 | — | — | US | disclosed |
| US-20140073662-A1 | Spirocyclic nitriles as protease inhibitors | SANOFI (FR) | 2014-03-13 | — | — | US | disclosed |
| EP-2520568-A1 | Spirocyclic nitriles as inhibitors of protease | SANOFI (FR) | 2012-11-07 | — | — | EP | disclosed |
| EP-2032535-B1 | SPIROCYCLIC NITRILES AS PROTEASE INHIBITORS | SANOFI SA (FR) | 2012-08-01 | — | — | EP | disclosed |
| US-20120015933-A1 | Spirocyclic nitriles as protease inhibitors | SANOFI-AVENTIS (FR) | 2012-01-19 | — | — | US | disclosed |
| US-8039480-B2 | Spirocyclic nitriles as protease inhibitors | SANOFI-AVENTIS (FR) | 2011-10-18 | — | — | US | disclosed |
| US-20090275523-A1 | Spirocyclic nitriles as protease inhibitors | SANOFI-AVENTIS (FR) | 2009-11-05 | — | — | US | disclosed |