⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28168155 | 0.71 | — | — | |
| SCHEMBL245364 | 0.71 | — | — | |
| SCHEMBL19185782 | 0.71 | — | — | |
| SCHEMBL3360241 | 0.71 | — | — | |
| SCHEMBL33803 | 0.69 | — | — | |
| SCHEMBL15236118 | 0.69 | — | — | |
| SCHEMBL29600487 | 0.66 | — | — | |
| Ammonia Solution, Strong SCHEMBL15865146 | 0.66 | — | — | |
| Hydrochloric Acid SCHEMBL9326011 | 0.66 | — | — | |
| Hydrochloric Acid SCHEMBL9326311 | 0.66 | — | — |
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-8383635-B2 | Chemical compounds | GLAXOSMITHKLINE LLC (US) | 2013-02-26 | — | — | US | disclosed |
| US-20110136838-A1 | CHEMICAL COMPOUNDS | GLAXOSMITHKLINE LLC | 2011-06-09 | — | — | US | disclosed |
| WO-2007117557-A2 | DIAMINOPROPANOL RENIN INHIBITORS | VITAE PHARMACEUTICALS, INC. (US) | 2007-10-18 | — | — | WO | disclosed |