⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6925260 | 1.00 | — | — | |
| SCHEMBL1072989 | 0.81 | ALDH1A1 (0.46) | — | |
| SCHEMBL1072991 | 0.81 | ALDH1A1 (0.46) | — | |
| SCHEMBL3137233 | 0.75 | ALDH1A1 (0.48) | — | |
| SCHEMBL11730263 | 0.75 | — | — | |
| SCHEMBL7848629 | 0.75 | ALDH1A1 (0.48) | — | |
| SCHEMBL3137231 | 0.75 | ALDH1A1 (0.48) | — | |
| SCHEMBL11731268 | 0.75 | — | — | |
| SCHEMBL5063619 | 0.75 | BTN3A1 (0.41) | — | |
| SCHEMBL5066886 | 0.75 | BTN3A1 (0.41) | — |
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 13 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 |
| US-4138289-A | ASYMMETRIC HYDROGENATION BY MICROORGANISM, FERMENTATION | HOFFMANN-LA ROCHE INC. (US) | 1979-02-06 | — | — | US | 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-4305876-A | CULTURE PRODUCT INTERMEDIATE IN THE PREPARATION OF VITAMINS E AND K | HOFFMANN-LA ROCHE, INC. (US) | 1981-12-15 | — | — | US | disclosed |
| US-4138289-A | ASYMMETRIC HYDROGENATION BY MICROORGANISM, FERMENTATION | HOFFMANN-LA ROCHE INC. (US) | 1979-02-06 | — | — | US | disclosed |
| US-4133836-A | UNSATURATED ALDEHYDE AND ALCOHOL, NITRIC ACID, RECTIFICATION | BASF AKTIENGESELLSCHAFT (DE) | 1979-01-09 | — | — | US | disclosed |
| US-4009202-A | 2(OR 3)-METHYL-1-ACETOXY-4-ALKOXY (OR PHENOXY)-1,3-BUTADIENES | BADISCHE ANILIN- & SODA-FABRIK AKTIENGESELLSCHAFT (DT) | 1977-02-22 | — | — | US | disclosed |