⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15048914 | 1.00 | — | — | |
| SCHEMBL15048838 | 0.83 | — | — | |
| SCHEMBL15048975 | 0.78 | — | — | |
| SCHEMBL15049077 | 0.78 | — | — | |
| SCHEMBL15048981 | 0.78 | — | — | |
| SCHEMBL15048812 | 0.78 | — | — | |
| SCHEMBL27216879 | 0.72 | — | — | |
| SCHEMBL30809923 | 0.72 | — | — | |
| SCHEMBL15048938 | 0.70 | MAPT (0.30) | — | |
| SCHEMBL15049525 | 0.70 | MAPT (0.30) | — |
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 2 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 |