⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14952944 | 1.00 | — | — | |
| SCHEMBL14966087 | 1.00 | — | — | |
| SCHEMBL14965767 | 1.00 | — | — | |
| SCHEMBL14952920 | 1.00 | — | — | |
| SCHEMBL14953114 | 0.84 | — | — | |
| SCHEMBL14953220 | 0.84 | — | — | |
| SCHEMBL14953222 | 0.84 | — | — | |
| SCHEMBL14952951 | 0.84 | — | — | |
| SCHEMBL18649572 | 0.76 | — | — | |
| SCHEMBL18649598 | 0.76 | — | — |
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 | disclosed |
| WO-2013072896-A1 | STRUCTURAL VARIANTS OF MYCOLACTONES FOR USE IN MODULATING INFLAMMATION, IMMUNITY AND PAIN | INSTITUT PASTEUR (FR) | 2013-05-23 | — | — | WO | disclosed |