⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11535631 | 1.00 | — | — | |
| SCHEMBL9462697 | 0.92 | — | — | |
| SCHEMBL9693621 | 0.92 | — | — | |
| SCHEMBL8946853 | 0.77 | PPM1D (0.36) | — | |
| SCHEMBL955952 | 0.77 | PPM1D (0.36) | — | |
| SCHEMBL9462890 | 0.74 | TSHR (0.35) | — | |
| SCHEMBL2689523 | 0.69 | — | — | |
| SCHEMBL8165368 | 0.67 | ENO1 (0.32) | — | |
| SCHEMBL5713354 | 0.67 | ENO1 (0.32) | — | |
| SCHEMBL6720724 | 0.67 | ENO1 (0.32) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4156100-A | INTERMEDIATES FOR OPTICALLY ACTIVE CAROTENOIDS | HOFFMANN-LA ROCHE INC. (US) | 1979-05-22 | — | — | US | disclosed |
| US-4153615-A | Method of producing coloring agents | HOFFMANN-LA ROCHE INC. (US) | 1979-05-08 | — | — | US | disclosed |
| US-4095038-A | INTERMEDIATES IN THE PRODUCTION OF CAROTENOIDS | HOFFMANN-LA ROCHE INC. (US) | 1978-06-13 | — | — | US | disclosed |
| US-4072715-A | CAROTENOIDS | HOFFMANN-LA ROCHE INC. (US) | 1978-02-07 | — | — | US | disclosed |
| US-4026949-A | INTERMEDIATES FOR CAROTENOIDS | HOFFMANN-LA ROCHE INC. (US) | 1977-05-31 | — | — | US | disclosed |
| US-3988205-A | BY FERMENTATIVELY HYDROGENATING AND REDUCING KETOISOPHORONE | HOFFMANN-LA ROCHE INC. (US) | 1976-10-26 | — | — | US | disclosed |