⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18506084 | 0.74 | — | — | |
| SCHEMBL36159 | 0.74 | CYP2C9 (0.44) | — | |
| SCHEMBL28251937 | 0.71 | CYP2C9 (0.42) | — | |
| SCHEMBL6914980 | 0.71 | CYP2C9 (0.42) | — | |
| SCHEMBL28251936 | 0.71 | CYP2C9 (0.42) | — | |
| SCHEMBL1709035 | 0.70 | — | — | |
| SCHEMBL16499756 | 0.70 | — | — | |
| SCHEMBL12928416 | 0.70 | — | — | |
| SCHEMBL14389380 | 0.70 | — | — | |
| SCHEMBL14629086 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8415488-B2 | Bidentate secondary phosphine oxide chiral ligands for use in asymmetric addition reactions | SOLVIAS AG (CH) | 2013-04-09 | — | — | US | disclosed |