⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2995855 | 0.88 | CYP17A1 (0.32) | — | |
| SCHEMBL20970168 | 0.86 | — | — | |
| SCHEMBL14949936 | 0.84 | SIGMAR1 (0.31) | — | |
| SCHEMBL2031601 | 0.82 | — | — | |
| SCHEMBL14949938 | 0.82 | CNR2 (0.35) | — | |
| SCHEMBL1734015 | 0.82 | P2RX7 (0.30) | — | |
| SCHEMBL14949926 | 0.80 | — | — | |
| SCHEMBL3000956 | 0.79 | — | — | |
| SCHEMBL16525166 | 0.78 | CYP17A1 (0.31) | — | |
| SCHEMBL3685854 | 0.77 | HPGD (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2097429-A1 | NOVEL CARBONYLATION LIGANDS AND THEIR USE IN THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS | Lucite International UK Limited (GB) | 2009-09-09 | — | — | EP | disclosed |
| WO-2008065448-A1 | NOVEL CARBONYLATION LIGANDS AND THEIR USE IN THE CARBONYLATION OF ETHYLENICALLY UNSATURATED COMPOUNDS | LUCITE INTERNATIONAL UK LIMITED (GB) | 2008-06-05 | — | — | WO | disclosed |