⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3268091 | 1.00 | — | — | |
| SCHEMBL18804194 | 0.79 | — | — | |
| SCHEMBL19840163 | 0.79 | — | — | |
| SCHEMBL23710764 | 0.78 | — | — | |
| SCHEMBL4384253 | 0.78 | HTT (0.33) | — | |
| SCHEMBL13663722 | 0.77 | — | — | |
| SCHEMBL24136949 | 0.77 | — | — | |
| SCHEMBL28618950 | 0.77 | — | — | |
| SCHEMBL24359414 | 0.77 | — | — | |
| SCHEMBL24776339 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8202911-B2 | Migrastatin analog compositions and uses thereof | CORNELL RESEARCH FOUNDATION, INC. (US) | 2012-06-19 | — | — | US | disclosed |
| US-20070054919-A1 | Pyrazinyl substituted piperazine-piperidines with CXCR3 antagonist activity | SCHERING CORPORATION | 2007-03-08 | — | — | US | disclosed |