⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9733202 | 0.75 | — | — | |
| SCHEMBL492196 | 0.73 | — | — | |
| SCHEMBL27363689 | 0.71 | — | — | |
| Ammonia Solution, Strong SCHEMBL5043231 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL28741632 | 0.71 | — | — | |
| SCHEMBL9830446 | 0.71 | — | — | |
| SCHEMBL28356166 | 0.71 | — | — | |
| Guanidine SCHEMBL6384671 | 0.67 | CA5A (0.61) | — | |
| Guanidine SCHEMBL7616728 | 0.67 | MEN1 (0.43) | — | |
| Guanidine SCHEMBL11252247 | 0.67 | CA5A (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120121540-A1 | Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections | GLAXOSMITHKLINE LLC | 2012-05-17 | — | — | US | disclosed |
| EP-2187883-A2 | NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS | GENELABS TECHNOLOGIES, INC. (US) | 2010-05-26 | — | — | EP | disclosed |
| US-20090176778-A1 | Certain nitrogen containing bicyclic chemical entities for treating viral infections | GLAXOSMITHKLINE LLC | 2009-07-09 | — | — | US | disclosed |
| WO-2009023179-A2 | NITROGEN CONTAINING BICYCLIC CHEMICAL ENTITIES FOR TREATING VIRAL INFECTIONS | GENELABS TECHNOLOGIES, INC. (US) | 2009-02-19 | — | — | WO | disclosed |