⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7001374 | 0.77 | — | — | |
| SCHEMBL2062761 | 0.69 | — | — | |
| SCHEMBL6396391 | 0.69 | — | — | |
| SCHEMBL184670 | 0.69 | — | — | |
| SCHEMBL28028349 | 0.67 | — | — | |
| SCHEMBL3119545 | 0.66 | ALDH1A1 (0.43) | — | |
| SCHEMBL1260755 | 0.66 | ALDH1A1 (0.43) | — | |
| SCHEMBL3081087 | 0.66 | — | — | |
| SCHEMBL22648 | 0.66 | — | — | |
| Water SCHEMBL27634458 | 0.66 | — | — |
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-2513031-A1 | A CONTINUOUS PROCESS FOR THE CARBONYLATION OF ETHYLENE | Lucite International UK Limited (GB) | 2012-10-24 | — | — | EP | disclosed |
| WO-2011073655-A1 | A CONTINUOUS PROCESS FOR THE CARBONYLATION OF ETHYLENE | LUCITE INTERNATIONAL UK LIMITED (GB) | 2011-06-23 | — | — | WO | disclosed |