⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17535887 | 0.82 | EPHX1 (0.33) | — | |
| SCHEMBL1692392 | 0.74 | — | — | |
| SCHEMBL22854041 | 0.69 | — | — | |
| SCHEMBL5432027 | 0.67 | — | — | |
| SCHEMBL113032 | 0.65 | — | — | |
| SCHEMBL18459769 | 0.64 | — | — | |
| Ammonia Solution, Strong SCHEMBL9396819 | 0.63 | — | — | |
| Hydrochloric Acid SCHEMBL17669853 | 0.63 | — | — | |
| Oxazolidine SCHEMBL3698244 | 0.62 | MEN1 (0.33) | — | |
| SCHEMBL22414443 | 0.61 | TSHR (0.30) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160152609-A1 | IMIDAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF | MERCK PATENT GMBH (DE) | 2016-06-02 | — | — | US | disclosed |
| US-20160152609-A1 | IMIDAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF | MERCK PATENT GMBH (DE) | 2016-06-02 | — | — | US | 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-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 |
| WO-2007137738-A1 | SPIROCYCLIC NITRILES AS PROTEASE INHIBITORS | SANOFI-AVENTIS (DE) | 2007-12-06 | — | — | WO | disclosed |