⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8309865 | 0.69 | — | — | |
| SCHEMBL7537133 | 0.67 | — | — | |
| SCHEMBL9041918 | 0.67 | — | — | |
| SCHEMBL7541201 | 0.67 | — | — | |
| SCHEMBL1933997 | 0.64 | — | — | |
| SCHEMBL20015649 | 0.62 | — | — | |
| SCHEMBL24265426 | 0.58 | — | — | |
| SCHEMBL12631033 | 0.58 | — | — | |
| SCHEMBL9998921 | 0.57 | — | — | |
| SCHEMBL9296983 | 0.56 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1295506-C | Mass spectrometric screening of catalysts | THALES TECHNOLOGIES AG (CH) | 2007-01-17 | — | — | CN | disclosed |
| CN-1340160-A | Mass spectrometry screening of catalysts | THALES TECHNOLOGIES AG (CH) | 2002-03-13 | — | — | CN | disclosed |