⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6852334 | 0.73 | — | — | |
| SCHEMBL716960 | 0.70 | — | — | |
| SCHEMBL830324 | 0.70 | — | — | |
| SCHEMBL11003038 | 0.70 | — | — | |
| SCHEMBL597762 | 0.67 | — | — | |
| SCHEMBL1421199 | 0.64 | — | — | |
| SCHEMBL6574933 | 0.64 | — | — | |
| SCHEMBL9508443 | 0.64 | — | — | |
| SCHEMBL9715811 | 0.64 | — | — | |
| SCHEMBL9849929 | 0.64 | — | — |
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-7579587-B2 | Thermally assisted membrane introduction mass spectrometry (MIMS) interface and method of use thereof | VANCOUVER ISLAND UNIVERSITY (CA) | 2009-08-25 | — | — | US | disclosed |
| US-20070181799-A1 | THERMALLY ASSISTED MEMBRANE INTRODUCTION MASS SPECTROMETRY (MIMS) INTERFACE AND METHOD OF USE THEREOF | MALASPINA UNIVERSITY-COLLEGE (CA) | 2007-08-09 | — | — | US | disclosed |