⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7616052 | 0.65 | — | — | |
| SCHEMBL8388236 | 0.65 | — | — | |
| SCHEMBL29490 | 0.65 | — | — | |
| SCHEMBL9006929 | 0.65 | — | — | |
| SCHEMBL12056557 | 0.63 | — | — | |
| SCHEMBL346816 | 0.63 | — | — | |
| SCHEMBL347561 | 0.63 | — | — | |
| SCHEMBL8180051 | 0.63 | — | — | |
| SCHEMBL19668007 | 0.63 | — | — | |
| SCHEMBL9269603 | 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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5625099-A | Preparation of astaxanthin, novel intermediates therefor and the preparation thereof | ERNST HANSGEORG (DE) | 1997-04-29 | — | — | US | disclosed |
| US-5455362-A | Preparation of astaxanthin novel intermediates therefor and the preparation thereof | BASF AKTIENGESELLSCHAFT (DE) | 1995-10-03 | — | — | US | disclosed |
| US-4701540-A | Process for carotenoid intermediates | HOFFMANN-LA ROCHE INC. (US) | 1987-10-20 | — | — | US | disclosed |
| US-4283559-A | Process for the manufacture of cyclohexene derivatives | HOFFMANN-LA ROCHE INC. (US) | 1981-08-11 | — | — | US | disclosed |
| US-4227022-A | CHEMICAL INTERMEDIATES FOR FOOD COLORING AGENTS; CANTHAXANTHIN | HOFFMANN-LA ROCHE INC. (US) | 1980-10-07 | — | — | US | disclosed |
| US-4157345-A | INTERMEDIATE IN SYNTHESIS OF CANTHAXANTHIN | HOFFMANN-LA ROCHE INC. (US) | 1979-06-05 | — | — | US | disclosed |
| US-4153805-A | REACTING 1-(1-HYDROXY-2,6,6-TRIMETHYL-CYCLOHEX-2-EN-1-YL)-3-ALKOXY-3-METHYL-PENT-4-EN-1-YNE WITH AN ALKANOIC ACID | HOFFMANN-LA ROCHE INC. (US) | 1979-05-08 | — | — | US | disclosed |
| US-4111992-A | SUBSTITUTED CYCLOHEXENONES | HOFFMANN-LA ROCHE INC. (US) | 1978-09-05 | — | — | US | disclosed |
| US-4088689-A | INTERMEDIATES FOR CANTHAXANTHIN | HOFFMANN-LA ROCHE INC. (US) | 1978-05-09 | — | — | US | disclosed |
| US-4045476-A | CANTHAXANTHIN INTERMEDIATES | HOFFMANN-LA ROCHE INC. (US) | 1977-08-30 | — | — | US | disclosed |
| US-4025564-A | FOOD COLORING AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1977-05-24 | — | — | US | disclosed |
| US-4000198-A | INTERMEDIATE FOR CANTHAXANTHIN | HOFFMANN-LA ROCHE INC. (US) | 1976-12-28 | — | — | US | disclosed |