⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11439783 | 0.78 | — | — | |
| SCHEMBL13953667 | 0.77 | — | — | |
| SCHEMBL13953668 | 0.74 | — | — | |
| SCHEMBL6761845 | 0.73 | TRPA1 (0.37) | — | |
| SCHEMBL13991691 | 0.73 | LCK (0.37) | — | |
| SCHEMBL10064433 | 0.72 | — | — | |
| SCHEMBL23775550 | 0.71 | — | — | |
| SCHEMBL13169328 | 0.71 | ALDH1A1 (0.35) | — | |
| SCHEMBL988807 | 0.71 | — | — | |
| SCHEMBL26450921 | 0.71 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120020881-A1 | Triaryl-sulphonium compounds, kit and methods for labeling positron emitting isotopes | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2012-01-26 | — | — | US | disclosed |
| US-20090035215-A1 | RADIOFLUORINATION | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2009-02-05 | — | — | US | disclosed |
| US-20080166362-A1 | New effector conjugates, process for their production and their pharmaceutical use | BERGER MARKUS | 2008-07-10 | — | — | US | disclosed |
| US-20080166362-A1 | New effector conjugates, process for their production and their pharmaceutical use | BERGER MARKUS | 2008-07-10 | — | — | US | disclosed |
| US-7335775-B2 | Effector conjugates, process for their production and their pharmaceutical use | SCHERING AKTIENGESELLSCHAFT (DE) | 2008-02-26 | — | — | US | disclosed |
| US-7335775-B2 | Effector conjugates, process for their production and their pharmaceutical use | SCHERING AKTIENGESELLSCHAFT (DE) | 2008-02-26 | — | — | US | disclosed |
| US-20070088060-A1 | New effector conjugates, process for their production and their pharmaceutical use | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2007-04-19 | — | — | US | disclosed |
| US-20070088060-A1 | New effector conjugates, process for their production and their pharmaceutical use | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2007-04-19 | — | — | US | disclosed |