⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11350359 | 0.87 | — | — | |
| SCHEMBL728782 | 0.82 | — | — | |
| SCHEMBL731350 | 0.82 | — | — | |
| SCHEMBL72375 | 0.82 | — | — | |
| SCHEMBL6152816 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL27676966 | 0.80 | GAA (0.32) | — | |
| Hydrochloric Acid SCHEMBL4090424 | 0.80 | GAA (0.32) | — | |
| Hydrochloric Acid SCHEMBL30922986 | 0.79 | SLC18A3 (0.41) | — | |
| SCHEMBL23043119 | 0.67 | — | — | |
| SCHEMBL22554805 | 0.67 | — | — |
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-2560651-A1 | PHARMACEUTICAL COMPOSITIONS AND ADMINISTRATIONS THEREOF | Vertex Pharmaceuticals Incorporated (US) | 2013-02-27 | — | — | EP | disclosed |
| EP-2560650-A1 | PHARMACEUTICAL COMPOSITIONS AND ADMINISTRATIONS THEREOF | Vertex Pharmaceuticals Incorporated (US) | 2013-02-27 | — | — | EP | disclosed |
| WO-2011133953-A1 | PHARMACEUTICAL COMPOSITIONS AND ADMINISTRATIONS THEREOF | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-10-27 | — | — | WO | disclosed |
| WO-2011133956-A1 | PHARMACEUTICAL COMPOSITIONS AND ADMINISTRATIONS THEREOF | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-10-27 | — | — | WO | disclosed |
| EP-2358721-A1 | Modulators of cystic fibrosis transmembrane conductance regulator | Vertex Pharmaceuticals Incorporated (US) | 2011-08-24 | — | — | EP | disclosed |
| WO-2010048564-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-04-29 | — | — | WO | disclosed |
| EP-0287116-A2 | Thiadiazolylacetamide cephem derivatives | Eisai Co., Ltd. (JP) | 1988-10-19 | — | — | EP | disclosed |
| US-4267383-A | USING A COMPLEX CATALYST FROM A TRIARYL PHOSPHINE AND A RHODIUM CARBONYL HYDRIDE OR CHLORIDE | CELANESE CORPORATION (US) | 1981-05-12 | — | — | US | disclosed |