⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3235581 | 1.00 | — | — | |
| SCHEMBL4880856 | 1.00 | — | — | |
| SCHEMBL3803891 | 0.79 | — | — | |
| SCHEMBL15526765 | 0.79 | — | — | |
| SCHEMBL14152184 | 0.79 | — | — | |
| SCHEMBL2869108 | 0.79 | — | — | |
| SCHEMBL2705365 | 0.79 | — | — | |
| SCHEMBL2705106 | 0.79 | — | — | |
| SCHEMBL15775141 | 0.77 | — | — | |
| SCHEMBL3657894 | 0.77 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8865755-B2 | Dual-acting antihypertensive agents | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2014-10-21 | — | — | US | disclosed |
| US-8513432-B2 | Dual-acting benzoimidazole antihypertensive agents | THERAVANCE, INC. (US) | 2013-08-20 | — | — | US | disclosed |
| US-20130210874-A1 | DUAL-ACTING ANTIHYPERTENSIVE AGENTS | THERAVANCE, INC. (US) | 2013-08-15 | — | — | US | disclosed |
| US-8338418-B2 | Dual-acting antihypertensive agents | THERAVANCE, INC. (US) | 2012-12-25 | — | — | US | disclosed |
| US-20120238611-A1 | DUAL-ACTING BENZOIMIDAZOLE ANTIHYPERTENSIVE AGENTS | THERAVANCE, INC. (US) | 2012-09-20 | — | — | US | disclosed |
| US-20120214849-A1 | DUAL-ACTING ANTIHYPERTENSIVE AGENTS | THERAVANCE, INC. (US) | 2012-08-23 | — | — | US | disclosed |
| US-8212052-B2 | Dual-acting benzoimidazole antihypertensive agents | THERAVANCE, INC. (US) | 2012-07-03 | — | — | US | disclosed |
| US-8080572-B2 | Dual-acting antihypertensive agents | THERAVANCE, INC. (US) | 2011-12-20 | — | — | US | disclosed |
| US-7863309-B2 | imidazole or triazole derivatives such as 4-[4-((R)-1-Benzyl-2-hydroxycarbamoylethylcarbamoyl)-2-butylimidazol-1-ylmethyl]benzoic acid methyl ester, used for treating congestive heart failure or as hypotensive agents | THERAVANCE, INC. (US) | 2011-01-04 | — | — | US | disclosed |
| US-20100022599-A1 | imidazole or triazole derivatives such as 4-[4-((R)-1-Benzyl-2-hydroxycarbamoylethylcarbamoyl)-2-butylimidazol-1-ylmethyl]benzoic acid methyl ester, used for treating congestive heart failure or as hypotensive agents | THERAVANCE BIOPHARMA R&D IP, LLC | 2010-01-28 | — | — | US | disclosed |
| WO-2010011821-A2 | DUAL-ACTING ANTIHYPERTENSIVE AGENTS | THERAVANCE, INC. (US) | 2010-01-28 | — | — | WO | disclosed |
| US-20090149521-A1 | DUAL-ACTING BENZOIMIDAZOLE ANTIHYPERTENSIVE AGENTS | THERAVANCE BIOPHARMA R&D IP, LLC | 2009-06-11 | — | — | US | disclosed |