⚠ 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 | |
|---|---|---|---|---|
| Iodide SCHEMBL22032686 | 0.97 | — | — | |
| SCHEMBL8501783 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL8910859 | 0.72 | — | — | |
| SCHEMBL9308582 | 0.71 | — | — | |
| SCHEMBL9479100 | 0.71 | — | — | |
| SCHEMBL2226346 | 0.62 | — | — | |
| SCHEMBL4733562 | 0.58 | — | — | |
| SCHEMBL34570 | 0.56 | — | — | |
| Hydrochloric Acid SCHEMBL10351867 | 0.53 | — | — | |
| SCHEMBL575165 | 0.53 | KDM4E (0.35) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3139918-A1 | BETA-TETRAZOLYL-PROPIONIC ACIDS AS METALLO-BETA-LACTAMASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2017-03-15 | — | — | EP | disclosed |
| WO-2015171474-A1 | BETA-TETRAZOLYL-PROPIONIC ACIDS AS METALLO-BETA-LACTAMASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-11-12 | — | — | WO | disclosed |
| US-7973030-B2 | Benzothiazepine and benzothiepine compounds | ASAHI KASEI PHARMA CORPORATION (JP) | 2011-07-05 | — | — | US | disclosed |
| US-7803792-B2 | Quaternary ammonium compounds | ASAHI KASEI PHARMA CORPORATION (JP) | 2010-09-28 | — | — | US | disclosed |
| US-7312208-B2 | Quaternary ammonium compounds | ASAHI KASEI PHARMA CORPORATION (JP) | 2007-12-25 | — | — | US | disclosed |
| US-20070203115-A1 | Novel quaternary ammonium compounds | ASAHI KASEI PHARMA CORPORATION (JP) | 2007-08-30 | — | — | US | disclosed |
| US-20070190041-A1 | Novel benzothiazepine and bensothiepine compounds | ASHAI KASEI PHARAMA CORPORATION (JP) | 2007-08-16 | — | — | US | disclosed |
| US-6241873-B1 | SOLID ELECTROLYTE FORMED BY HEAT TREATING POLYMER HAVING QUATERNARY AMMONIUM GROUP IN ITS MAIN CHAIN AND HAVING HALIDE ION AS COUNTER ION, AND METAL HALIDE AT AT LEAST 100 DEGREES C. | TDK CORPORATION (JP) | 2001-06-05 | — | — | US | disclosed |