⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15048931 | 1.00 | — | — | |
| SCHEMBL15048886 | 1.00 | — | — | |
| SCHEMBL15048884 | 1.00 | — | — | |
| SCHEMBL15048981 | 0.79 | — | — | |
| SCHEMBL15048812 | 0.79 | — | — | |
| SCHEMBL15048975 | 0.79 | — | — | |
| SCHEMBL15049077 | 0.79 | — | — | |
| SCHEMBL4736635 | 0.78 | — | — | |
| SCHEMBL15048838 | 0.77 | — | — | |
| SCHEMBL15049281 | 0.76 | MAPT (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2794566-A1 | PIPECOLATE-DIKETOAMIDES FOR TREATMENT OF PSYCHIATRIC DISORDERS | Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) | 2014-10-29 | — | — | EP | disclosed |
| WO-2013091900-A1 | PIPECOLATE-DIKETOAMIDES FOR TREATMENT OF PSYCHIATRIC DISORDERS | MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) | 2013-06-27 | — | — | WO | disclosed |
| EP-2607352-A1 | Pipecolate-diketoamides for treatment of psychiatric disorders | Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) | 2013-06-26 | — | — | EP | disclosed |