⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1783968 | 1.00 | — | — | |
| SCHEMBL1783966 | 1.00 | — | — | |
| SCHEMBL12845021 | 0.80 | ALDH1A1 (0.33) | — | |
| SCHEMBL19055097 | 0.79 | — | — | |
| SCHEMBL11452438 | 0.75 | — | — | |
| SCHEMBL9609508 | 0.75 | — | — | |
| SCHEMBL10526392 | 0.75 | — | — | |
| SCHEMBL10526397 | 0.75 | — | — | |
| SCHEMBL1785939 | 0.75 | — | — | |
| SCHEMBL1785941 | 0.75 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1186589-B1 | Continuous process for the production of acetals | BASF AG (DE) | 2003-11-05 | — | — | EP | claimed |
| US-6518464-B2 | Reacting an unsaturated compound with allyl alcohol | BASF AKTIENGESELLSCHAFT (DE) | 2003-02-11 | — | — | US | claimed |
| US-20020035298-A1 | Continuous process for the preparation of acetals | BASF AKTIENGESELLSCHAFT (DE) | 2002-03-21 | — | — | US | claimed |
| EP-1186589-A1 | Continuous process for the production of acetals | BASF AKTIENGESELLSCHAFT (DE) | 2002-03-13 | — | — | EP | claimed |
| EP-1186589-B1 | Continuous process for the production of acetals | BASF AG (DE) | 2003-11-05 | — | — | EP | disclosed |
| US-6518464-B2 | Reacting an unsaturated compound with allyl alcohol | BASF AKTIENGESELLSCHAFT (DE) | 2003-02-11 | — | — | US | disclosed |
| US-20020035298-A1 | Continuous process for the preparation of acetals | BASF AKTIENGESELLSCHAFT (DE) | 2002-03-21 | — | — | US | disclosed |
| EP-1186589-A1 | Continuous process for the production of acetals | BASF AKTIENGESELLSCHAFT (DE) | 2002-03-13 | — | — | EP | disclosed |
| US-4133836-A | UNSATURATED ALDEHYDE AND ALCOHOL, NITRIC ACID, RECTIFICATION | BASF AKTIENGESELLSCHAFT (DE) | 1979-01-09 | — | — | US | disclosed |