⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1979249 | 0.80 | — | — | |
| SCHEMBL2379607 | 0.78 | FFAR1 (0.31) | — | |
| SCHEMBL1027529 | 0.78 | KDM4E (0.31) | — | |
| SCHEMBL2876460 | 0.75 | — | — | |
| SCHEMBL22319333 | 0.73 | KDM4E (0.38) | — | |
| SCHEMBL497097 | 0.72 | TSHR (0.39) | — | |
| SCHEMBL22341323 | 0.72 | ALDH1A1 (0.31) | — | |
| SCHEMBL10828067 | 0.72 | — | — | |
| SCHEMBL6264890 | 0.72 | TSHR (0.32) | — | |
| SCHEMBL16760834 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7977334-B2 | N-(3-{2-[3-(6-amino-benzimidazol-1-yl)-1,1-dimethyl-propylamino]-1-hydroxy-ethyl}-phenyl)-benzenesulphonamide; beta(3)-Adrenoceptor agonists; antidiabetic, obesity modulator, insulin resistance | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-07-12 | — | — | US | disclosed |
| US-20090324510-A1 | DRUG COMBINATIONS FOR THE TREATMENT OF RESPIRATORY TRACT DISEASES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-12-31 | — | — | US | disclosed |
| US-7405232-B2 | Long acting beta-2 agonists and their use as medicaments | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2008-07-29 | — | — | US | disclosed |
| US-20050197374-A1 | New long acting beta-2 agonists and their use as medicaments | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2005-09-08 | — | — | US | disclosed |