⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4865683 | 0.75 | — | — | |
| SCHEMBL8925898 | 0.75 | — | — | |
| SCHEMBL24072795 | 0.73 | — | — | |
| SCHEMBL11111454 | 0.73 | — | — | |
| SCHEMBL10080417 | 0.73 | — | — | |
| SCHEMBL17845798 | 0.73 | — | — | |
| SCHEMBL21135259 | 0.73 | — | — | |
| SCHEMBL11413564 | 0.72 | — | — | |
| SCHEMBL10064432 | 0.72 | — | — | |
| SCHEMBL10064433 | 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 1 patent. 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 |