⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18526276 | 0.75 | — | — | |
| SCHEMBL21650521 | 0.67 | — | — | |
| SCHEMBL18716250 | 0.66 | — | — | |
| SCHEMBL19225712 | 0.62 | — | — | |
| Butadiene SCHEMBL4763264 | 0.62 | ALDH1A1 (0.35) | — | |
| SCHEMBL2516536 | 0.61 | — | — | |
| SCHEMBL3259423 | 0.60 | — | — | |
| SCHEMBL13849414 | 0.60 | — | — | |
| SCHEMBL2236437 | 0.60 | — | — | |
| SCHEMBL2223999 | 0.60 | — | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0814078-B1 | Process for the preparation of polyenic esters and -acids | HOFFMANN LA ROCHE (CH) | 2000-04-05 | — | — | EP | claimed |
| US-5986113-A | MULTISTAGE PROCESS FOR FORMING PIGMENTS | ROCHE VITAMINS INC (US) | 1999-11-16 | — | — | US | claimed |
| CN-1169418-A | Manufacture of polyene esters and acids | HOFFMANN LA ROCHE (CH) | 1998-01-07 | — | — | CN | claimed |
| EP-0814078-A1 | Process for the preparation of polyenic esters and -acids | F. HOFFMANN-LA ROCHE AG (CH) | 1997-12-29 | — | — | EP | claimed |
| CN-1124261-C | Manufacture of polyene esters and acids | HOFFMANN LA ROCHE (CH) | 2003-10-15 | — | — | CN | disclosed |
| EP-0814078-B1 | Process for the preparation of polyenic esters and -acids | HOFFMANN LA ROCHE (CH) | 2000-04-05 | — | — | EP | disclosed |
| US-5986113-A | MULTISTAGE PROCESS FOR FORMING PIGMENTS | ROCHE VITAMINS INC (US) | 1999-11-16 | — | — | US | disclosed |
| US-5763651-A | CONDENSATION OF UNSATURATED ETHERS IN THE PRESENCE OF LEWIS ACIDS | ROCHE VITAMINS INC. (US) | 1998-06-09 | — | — | US | disclosed |
| CN-1169418-A | Manufacture of polyene esters and acids | HOFFMANN LA ROCHE (CH) | 1998-01-07 | — | — | CN | disclosed |
| EP-0814078-A1 | Process for the preparation of polyenic esters and -acids | F. HOFFMANN-LA ROCHE AG (CH) | 1997-12-29 | — | — | EP | disclosed |
| US-4466903-A | Unsaturated 1,3-dioxolane stabilized with aliphatic aldehyde hydrazone | PPG INDUSTRIES, INC. (US) | 1984-08-21 | — | — | US | disclosed |
| US-4466903-A | Unsaturated 1,3-dioxolane stabilized with aliphatic aldehyde hydrazone | PPG INDUSTRIES, INC. (US) | 1984-08-21 | — | — | US | disclosed |
| US-4418231-A | ACID ACCEPTING 2-ALKYLIDENE-1,3-DIOXOLANES IN TRICHLOROETHYLENE AND/OR METHYLCHLOROFORM | PPG INDUSTRIES, INC. (US) | 1983-11-29 | — | — | US | disclosed |
| US-4418231-A | ACID ACCEPTING 2-ALKYLIDENE-1,3-DIOXOLANES IN TRICHLOROETHYLENE AND/OR METHYLCHLOROFORM | PPG INDUSTRIES, INC. (US) | 1983-11-29 | — | — | US | disclosed |