⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1703734 | 1.00 | — | — | |
| SCHEMBL14906814 | 0.79 | — | — | |
| SCHEMBL17467767 | 0.79 | — | — | |
| SCHEMBL8370948 | 0.79 | — | — | |
| SCHEMBL6282205 | 0.79 | — | — | |
| SCHEMBL17775763 | 0.77 | — | — | |
| SCHEMBL28287715 | 0.77 | — | — | |
| SCHEMBL8649598 | 0.75 | — | — | |
| SCHEMBL12640274 | 0.75 | — | — | |
| SCHEMBL8649600 | 0.75 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1695088-B1 | METHOD FOR ANALYSING METABOLITES | MAX PLANCK GESELLSCHAFT (DE) | 2012-04-18 | — | — | EP | disclosed |
| US-20070141712-A1 | Method for analysing metabolites | MAX-PLANCK-GESSELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) | 2007-06-21 | — | — | US | disclosed |
| EP-1695088-A1 | METHOD FOR ANALYSING METABOLITES | Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) | 2006-08-30 | — | — | EP | disclosed |
| WO-2005059556-A1 | METHOD FOR ANALYSING METABOLITES | MAX PLANCK GESELLLSCHAFT ZUR FÖRDERUNG DER WISSENSCHAFTEN E.V. (DE) | 2005-06-30 | — | — | WO | disclosed |