⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16841642 | 0.80 | — | — | |
| SCHEMBL15423465 | 0.80 | — | — | |
| SCHEMBL2480705 | 0.73 | — | — | |
| SCHEMBL301892 | 0.73 | — | — | |
| SCHEMBL3885883 | 0.73 | — | — | |
| SCHEMBL24267750 | 0.71 | — | — | |
| SCHEMBL7563948 | 0.71 | — | — | |
| SCHEMBL765834 | 0.71 | — | — | |
| SCHEMBL25044932 | 0.71 | — | — | |
| SCHEMBL22319184 | 0.70 | — | — |
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-6784295-B2 | CARRIED OUT IN THE PRESENCE OF AN INORGANIC BASE OR ORGANIC NITROGEN BASE AND A PALLADIUM COMPLEX CATALYST CONTAINING SECONDARY MONOPHOSPHINES WITH ALIPHATIC, BRANCHED OR CYCLIC SUBSTITUENTS AS LIGANDS | SOLVIAS AG (CH) | 2004-08-31 | — | — | US | disclosed |
| US-6548684-B2 | Using monophosphine palladium complex catalyst | SOLVIAS AG (SE) | 2003-04-15 | — | — | US | disclosed |