⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11731865 | 0.82 | HSD17B10 (0.46) | — | |
| SCHEMBL29309523 | 0.80 | — | — | |
| SCHEMBL14212820 | 0.75 | — | — | |
| SCHEMBL8680922 | 0.75 | — | — | |
| SCHEMBL16019150 | 0.75 | — | — | |
| SCHEMBL12163199 | 0.75 | — | — | |
| SCHEMBL10840608 | 0.75 | HSD17B10 (0.50) | — | |
| SCHEMBL8134018 | 0.69 | ALDH1A1 (0.38) | — | |
| SCHEMBL4637695 | 0.69 | — | — | |
| SCHEMBL21630437 | 0.67 | ALDH1A1 (0.52) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5986113-A | MULTISTAGE PROCESS FOR FORMING PIGMENTS | ROCHE VITAMINS INC (US) | 1999-11-16 | — | — | US | claimed |
| 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 |
| EP-0814078-A1 | Process for the preparation of polyenic esters and -acids | F. HOFFMANN-LA ROCHE AG (CH) | 1997-12-29 | — | — | EP | disclosed |