⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7190533 | 0.79 | — | — | |
| SCHEMBL136829 | 0.78 | — | — | |
| SCHEMBL1991316 | 0.69 | — | — | |
| SCHEMBL7576877 | 0.69 | — | — | |
| SCHEMBL22498049 | 0.69 | — | — | |
| SCHEMBL4966842 | 0.69 | — | — | |
| SCHEMBL10934943 | 0.67 | ALDH1A1 (0.33) | — | |
| SCHEMBL31688163 | 0.67 | — | — | |
| SCHEMBL18726591 | 0.67 | — | — | |
| SCHEMBL3716863 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012025469-A1 | IMPROVED PROCESS FOR THE PREPARATION OF ESTERS OF 1-H-PYRAZOLE-4-CARBOXYLIC ACIDS | SOLVAY SA (BE) | 2012-03-01 | — | — | WO | disclosed |
| EP-2170789-A1 | PROCESS FOR OBTAINING A PURIFIED HYDROFLUOROALKANE | Solvay Fluor GmbH (DE) | 2010-04-07 | — | — | EP | disclosed |
| WO-2009013198-A1 | PROCESS FOR OBTAINING A PURIFIED HYDROFLUOROALKANE | SOLVAY FLUOR GMBH (DE) | 2009-01-29 | — | — | WO | disclosed |
| US-20040030204-A1 | Process for obtaining a purified hydrofluoroalkane | SOLVAY (SOCIETE ANONYME) (BE) | 2004-02-12 | — | — | US | disclosed |