⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8649566 | 0.77 | — | — | |
| SCHEMBL28355 | 0.76 | — | — | |
| SCHEMBL3652710 | 0.71 | — | — | |
| SCHEMBL8652424 | 0.71 | — | — | |
| SCHEMBL3676199 | 0.71 | — | — | |
| SCHEMBL5076131 | 0.71 | — | — | |
| SCHEMBL7710960 | 0.71 | — | — | |
| SCHEMBL5074196 | 0.71 | — | — | |
| SCHEMBL8967307 | 0.71 | — | — | |
| SCHEMBL2639356 | 0.68 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0183042-B1 | PROCESS FOR THE PREPARATION OF HYDROCHINONE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1989-10-11 | — | — | EP | claimed |
| US-4689427-A | Hydroquinone derivatives useful in the production of vitamin E | HOFFMANN-LA ROCHE INC. (US) | 1987-08-25 | — | — | US | claimed |
| US-4689427-A | Hydroquinone derivatives useful in the production of vitamin E | HOFFMANN-LA ROCHE INC. (US) | 1987-08-25 | — | — | US | disclosed |