⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7227356 | 0.75 | — | — | |
| SCHEMBL68724 | 0.75 | TSHR (0.44) | — | |
| SCHEMBL2441916 | 0.73 | — | — | |
| SCHEMBL13531717 | 0.73 | — | — | |
| SCHEMBL18218133 | 0.73 | — | — | |
| SCHEMBL14393173 | 0.71 | HSD17B10 (0.42) | — | |
| SCHEMBL10186900 | 0.71 | — | — | |
| SCHEMBL8563840 | 0.71 | — | — | |
| SCHEMBL4982398 | 0.71 | — | — | |
| SCHEMBL5956978 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7271300-B1 | Picric acid explosive compound and environmentally friendly methods for making the same | UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 2007-09-18 | — | — | US | claimed |
| US-20150298111-A1 | Ruthenium Or Osmium Complex, Method For Its Preparation And Use Thereof | Instytut Chemii Organicznej Polskiej Akademii Nauk (PL) | 2015-10-22 | — | — | US | disclosed |
| EP-2590982-A1 | PROTEIN KINASE INHIBITORS AND METHODS OF TREATMENT | The Walter and Eliza Hall Institute of Medical Research (AU) | 2013-05-15 | — | — | EP | disclosed |
| WO-2013046108-A1 | RUTHENIUM OR OSMIUM COMPLEX, METHOD FOR ITS PREPARATION AND USE THEREOF | Instytut Chemii Organicznej Polskiej Akademii Nauk (PL) | 2013-04-04 | — | — | WO | disclosed |
| WO-2012003544-A1 | PROTEIN KINASE INHIBITORS AND METHODS OF TREATMENT | THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) | 2012-01-12 | — | — | WO | disclosed |