⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL323174 | 1.00 | — | — | |
| SCHEMBL13531791 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL27502631 | 0.97 | — | — | |
| Propane SCHEMBL11357480 | 0.92 | — | — | |
| SCHEMBL11345039 | 0.83 | SLC6A2 (0.32) | — | |
| SCHEMBL8945907 | 0.82 | — | — | |
| SCHEMBL10184347 | 0.80 | — | — | |
| SCHEMBL8217469 | 0.80 | — | — | |
| Tert-Butyl Formate SCHEMBL28312846 | 0.76 | TDP1 (0.46) | — | |
| Nitrous Acid SCHEMBL11793835 | 0.71 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2032535-B1 | SPIROCYCLIC NITRILES AS PROTEASE INHIBITORS | SANOFI SA (FR) | 2012-08-01 | — | — | EP | 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 |
| CN-1143855-C | I (ortho)-anthranilamide derivatives as anti-coagulants | ���ֹɷݹ�˾ | 2004-03-31 | — | — | CN | disclosed |
| CN-1282329-A | I (ortho)-anthranilamide derivatives as anti-coagulants | SCHERING AG (DE) | 2001-01-31 | — | — | CN | disclosed |