⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL729770 | 0.84 | MEN1 (0.31) | — | |
| SCHEMBL731885 | 0.82 | AGER (0.35) | — | |
| SCHEMBL729979 | 0.80 | PRSS1 (0.31) | — | |
| SCHEMBL3120536 | 0.80 | AGER (0.34) | — | |
| SCHEMBL732273 | 0.73 | GSK3B (0.35) | — | |
| SCHEMBL5891827 | 0.72 | CYP19A1 (0.36) | — | |
| SCHEMBL730321 | 0.67 | CYP19A1 (0.36) | — | |
| SCHEMBL1226792 | 0.67 | CYP19A1 (0.34) | — | |
| SCHEMBL1226980 | 0.67 | CYP19A1 (0.34) | — | |
| SCHEMBL8156288 | 0.67 | MAOB (0.39) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8138176-B2 | Imidazo compounds | NOVARTIS AG (CH) | 2012-03-20 | — | — | US | disclosed |
| US-20110092492-A1 | IMIDAZO COMPOUNDS | HEROLD PETER | 2011-04-21 | — | — | US | disclosed |
| US-7879847-B2 | such as 4-(5,6-Dihydro-8H-imidazo[5,1-c][1,4]oxazin-5-yl)benzonitrile, having aldosterone synthase and/or 11- beta -hydroxylase inhibitory activity, used for the treatment of hypertension and Cushing's Syndrome | NOVARTIS AG (CH) | 2011-02-01 | — | — | US | disclosed |
| EP-2007770-B1 | IMIDAZO COMPOUNDS | NOVARTIS AG (CH) | 2010-09-08 | — | — | EP | disclosed |
| EP-2007771-B1 | IMIDAZO COMPOUNDS | NOVARTIS AG (CH) | 2010-04-07 | — | — | EP | disclosed |
| US-20090192149-A1 | Imidazo Compounds | SPEEDEL EXPERIMENTA AG (CH) | 2009-07-30 | — | — | US | disclosed |
| US-20090192144-A1 | Imidazo Compounds | SPEEDEL EXPERIMENTA AG (CH) | 2009-07-30 | — | — | US | disclosed |