⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1725434 | 1.00 | — | — | |
| SCHEMBL10489190 | 0.81 | — | — | |
| SCHEMBL10489185 | 0.81 | — | — | |
| SCHEMBL16503529 | 0.79 | — | — | |
| SCHEMBL8140188 | 0.76 | ALDH1A1 (0.35) | — | |
| SCHEMBL15448078 | 0.71 | — | — | |
| SCHEMBL1879791 | 0.71 | DRD2 (0.33) | — | |
| SCHEMBL10489201 | 0.69 | — | — | |
| SCHEMBL10489199 | 0.69 | — | — | |
| SCHEMBL7327400 | 0.68 | GLO1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20170174669-A1 | POCHOXIME CONJUGATES USEFUL FOR THE TREATMENT OF HSP90 RELATED PATHOLOGIES | UNIV STRASBOURG (FR) | 2017-06-22 | — | — | US | disclosed |
| EP-2403842-B1 | CHIRAL DISULFONIMIDES | STUDIENGESELLSCHAFT KOHLE MBH (DE) | 2016-06-29 | — | — | EP | disclosed |
| US-20150374680-A1 | POCHOXIME CONJUGATES USEFUL FOR THE TREATMENT OF HSP90 RELATED PATHOLOGIES | UNIVERSITE DE STRASBOURG (FR) | 2015-12-31 | — | — | US | disclosed |
| US-9079869-B2 | Chiral disulfonimides | STUDIENGESELLSCHAFT KOHLE MBH (DE) | 2015-07-14 | — | — | US | disclosed |
| US-20140031302-A1 | POCHOXIME CONJUGATES USEFUL FOR THE TREATMENT OF HSP90 RELATED PATHOLOGIES | UNIVERSITE DE STRASBOURG (FR) | 2014-01-30 | — | — | US | disclosed |
| EP-2403842-A1 | CHIRAL DISULFONIMIDES | Studiengesellschaft Kohle MbH (DE) | 2012-01-11 | — | — | EP | disclosed |
| US-20110313150-A1 | CHIRAL DISULFONIMIDES | STUDIENGESELLSCHAFT KOHLE MBH (DE) | 2011-12-22 | — | — | US | disclosed |
| WO-2010099786-A1 | CHIRAL DISULFONIMIDES | STUDIENGESELLSCHAFT KOHLE MBH (DE) | 2010-09-10 | — | — | WO | disclosed |