⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18583040 | 0.47 | — | — | |
| SCHEMBL345819 | 0.47 | — | — | |
| SCHEMBL2825402 | 0.47 | — | — | |
| SCHEMBL130101 | 0.43 | — | — | |
| SCHEMBL5133363 | 0.43 | — | — | |
| SCHEMBL23721699 | 0.43 | — | — | |
| SCHEMBL3867756 | 0.43 | — | — | |
| SCHEMBL6408462 | 0.43 | — | — | |
| SCHEMBL449011 | 0.43 | — | — | |
| SCHEMBL4330924 | 0.43 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9857334-B2 | Ion mobility separation buffer gas composition | MICROMASS UK LIMITED (GB) | 2018-01-02 | — | — | US | disclosed |
| US-20160305907-A1 | Ion Mobility Separation Buffer Gas Composition | MICROMASS UK LIMITED (GB) | 2016-10-20 | — | — | US | disclosed |
| EP-3081931-A1 | ION MOBILITY SEPARATION BUFFER GAS COMPOSITION | Micromass UK Limited (GB) | 2016-10-19 | — | — | EP | disclosed |