⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10280940 | 0.79 | CA1 (0.34) | — | |
| SCHEMBL350912 | 0.78 | ROCK2 (0.30) | — | |
| SCHEMBL10281209 | 0.77 | — | — | |
| SCHEMBL10281272 | 0.75 | — | — | |
| SCHEMBL10281276 | 0.74 | IDO1 (0.30) | — | |
| SCHEMBL10281288 | 0.72 | — | — | |
| SCHEMBL10281405 | 0.72 | — | — | |
| SCHEMBL10280972 | 0.70 | — | — | |
| SCHEMBL352293 | 0.69 | HPGD (0.32) | — | |
| SCHEMBL349934 | 0.69 | ROCK2 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012009698-A1 | PHOSPHINE LIGANDS FOR CATALYTIC REACTIONS | ABBOTT LABORATORIES (US) | 2012-01-19 | — | — | WO | disclosed |