⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14965633 | 1.00 | — | — | |
| SCHEMBL2608980 | 0.66 | — | — | |
| SCHEMBL10323326 | 0.64 | — | — | |
| SCHEMBL12384257 | 0.64 | — | — | |
| SCHEMBL943444 | 0.64 | — | — | |
| SCHEMBL15624974 | 0.62 | SLC6A3 (0.37) | — | |
| SCHEMBL973920 | 0.62 | — | — | |
| SCHEMBL973922 | 0.62 | — | — | |
| SCHEMBL1112997 | 0.62 | — | — | |
| SCHEMBL1112996 | 0.62 | — | — |
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-2780336-A1 | STRUCTURAL VARIANTS OF MYCOLACTONES FOR USE IN MODULATING INFLAMMATION, IMMUNITY AND PAIN | Institut Pasteur (FR) | 2014-09-24 | — | — | EP | claimed |
| WO-2013072896-A1 | STRUCTURAL VARIANTS OF MYCOLACTONES FOR USE IN MODULATING INFLAMMATION, IMMUNITY AND PAIN | INSTITUT PASTEUR (FR) | 2013-05-23 | — | — | WO | claimed |