⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22361239 | 0.74 | — | — | |
| SCHEMBL440493 | 0.73 | — | — | |
| SCHEMBL28238108 | 0.70 | TSHR (0.40) | — | |
| SCHEMBL2128334 | 0.69 | — | — | |
| SCHEMBL16604658 | 0.67 | — | — | |
| SCHEMBL19478689 | 0.67 | — | — | |
| SCHEMBL71192 | 0.65 | — | — | |
| SCHEMBL403177 | 0.65 | — | — | |
| SCHEMBL1696591 | 0.64 | — | — | |
| SCHEMBL7043311 | 0.63 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2867203-B1 | INTEGRATED METHOD FOR PRODUCING ACROLEIN AND 3-METHYLMERCAPTO PROPIONALDEHYDE | EVONIK DEGUSSA GMBH (DE) | 2016-09-28 | — | — | EP | claimed |
| US-8877981-B2 | Integrated process for preparing acrolein and 3-methylmercaptopropionaldehyde | EVONIK INDUSTRIES AG (DE) | 2014-11-04 | — | — | US | disclosed |
| US-20140005437-A1 | INTEGRATED PROCESS FOR PREPARING ACROLEIN AND 3-METHYLMERCAPTOPROPIONALDEHYDE | EVONIK INDUSTRIES AG (DE) | 2014-01-02 | — | — | US | disclosed |