⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL2128500 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL7114299 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL7116685 | 0.97 | — | — | |
| SCHEMBL56311 | 0.79 | ANPEP (0.65) | — | |
| SCHEMBL10343746 | 0.76 | ANPEP (0.61) | — | |
| Hydrochloric Acid SCHEMBL56763 | 0.76 | GMNN (0.63) | — | |
| SCHEMBL7801241 | 0.71 | — | — | |
| SCHEMBL14181588 | 0.71 | — | — | |
| SCHEMBL101928 | 0.71 | — | — | |
| SCHEMBL1568287 | 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-8513432-B2 | Dual-acting benzoimidazole antihypertensive agents | THERAVANCE, INC. (US) | 2013-08-20 | — | — | US | disclosed |
| US-20120238611-A1 | DUAL-ACTING BENZOIMIDAZOLE ANTIHYPERTENSIVE AGENTS | THERAVANCE, INC. (US) | 2012-09-20 | — | — | US | disclosed |
| US-8212052-B2 | Dual-acting benzoimidazole antihypertensive agents | THERAVANCE, INC. (US) | 2012-07-03 | — | — | US | disclosed |
| US-20090149521-A1 | DUAL-ACTING BENZOIMIDAZOLE ANTIHYPERTENSIVE AGENTS | THERAVANCE BIOPHARMA R&D IP, LLC | 2009-06-11 | — | — | US | disclosed |