⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9084212 | 0.90 | — | — | |
| SCHEMBL7076061 | 0.86 | — | — | |
| Water SCHEMBL21777072 | 0.86 | — | — | |
| SCHEMBL20212540 | 0.83 | — | — | |
| SCHEMBL1397143 | 0.77 | — | — | |
| SCHEMBL16336014 | 0.75 | — | — | |
| SCHEMBL1397169 | 0.74 | MAPT (0.31) | — | |
| SCHEMBL2194733 | 0.74 | — | — | |
| Cyclohexane SCHEMBL4592494 | 0.74 | — | — | |
| Hydrogen Sulfide SCHEMBL7638603 | 0.72 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8044233-B2 | Process for preparing vinyl carboxylates | BASF AKTIENGESELLSCHAFT (DE) | 2011-10-25 | — | — | US | disclosed |
| US-20080308765-A1 | Process for Preparing Vinyl Carboxylates | BASF SE (DE) | 2008-12-18 | — | — | US | disclosed |
| EP-1954666-A1 | PROCESS FOR PREPARING VINYL CARBOXYLATES | BASF SE (DE) | 2008-08-13 | — | — | EP | disclosed |
| WO-2007060176-A1 | PROCESS FOR PREPARING VINYL CARBOXYLATES | BASF SE (DE) | 2007-05-31 | — | — | WO | disclosed |