⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1132483 | 0.81 | TSHR (0.31) | — | |
| Hydrochloric Acid SCHEMBL28018964 | 0.78 | KDM4E (0.35) | — | |
| Hexane SCHEMBL9407318 | 0.71 | TSHR (0.39) | — | |
| SCHEMBL4332487 | 0.67 | ALDH1A1 (0.32) | — | |
| SCHEMBL4332481 | 0.67 | TSHR (0.31) | — | |
| Hexane SCHEMBL9407319 | 0.67 | TSHR (0.39) | — | |
| Hydrochloric Acid SCHEMBL9441985 | 0.65 | — | — | |
| SCHEMBL4360992 | 0.65 | — | — | |
| SCHEMBL16321131 | 0.63 | TSHR (0.33) | — | |
| Hydrochloric Acid SCHEMBL17509980 | 0.63 | KDM4E (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8436035-B2 | Organic compounds | NOVARTIS AG (CH) | 2013-05-07 | — | — | US | disclosed |
| EP-2213668-A2 | Imidazoles as aldosterone synthase inhibitors | Novartis AG (CH) | 2010-08-04 | — | — | EP | disclosed |
| US-20100048562-A1 | ORGANIC COMPOUNDS | NOVARTIS AG (CH) | 2010-02-25 | — | — | US | disclosed |
| EP-2094680-A2 | IMIDAZOLES AS ALDOSTERONE SYNTHASE INHIBITORS | Novartis AG (CH) | 2009-09-02 | — | — | EP | disclosed |
| WO-2008076336-A2 | IMIDAZOLES AS ALDOSTERONE SYNTHASE INHIBITORS | NOVARTIS AG (CH) | 2008-06-26 | — | — | WO | disclosed |