⚠ 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 | |
|---|---|---|---|---|
| Tetrahydrofuran SCHEMBL18167417 | 0.96 | ALDH1A1 (0.73) | — | |
| Tetrahydrofuran SCHEMBL1708038 | 0.96 | ALDH1A1 (0.73) | — | |
| Tetrahydrofuran SCHEMBL49157 | 0.96 | — | — | |
| Tetrahydrofuran SCHEMBL5244965 | 0.96 | ALDH1A1 (0.73) | — | |
| Tetrahydrofuran SCHEMBL3181441 | 0.96 | ALDH1A1 (0.73) | — | |
| Tetrahydrofuran SCHEMBL1615823 | 0.92 | — | — | |
| Methyl Alcohol SCHEMBL9304289 | 0.92 | — | — | |
| Methyl Alcohol SCHEMBL1534171 | 0.92 | ALDH1A1 (0.67) | — | |
| Dioxane SCHEMBL28216951 | 0.92 | ALDH1A1 (0.67) | — | |
| Cyclohexane SCHEMBL11380245 | 0.92 | ALDH1A1 (0.67) | — |
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-0021775-B1 | SYNTHESIS OF 1RS,4SR,5RS-4-(4,8-DIMETHYL-5-HYDROXY-7-NONEN-1-YL)-4-METHYL-3,8-DIOXABICYCLO(3.2.1)OCTANE-1-ACETIC ACID AND INTERMEDIATES | ORTHO PHARMACEUTICAL CORPORATION (US) | 1984-09-26 | — | — | EP | disclosed |
| EP-0021775-A1 | Synthesis of 1RS,4SR,5RS-4-(4,8-dimethyl-5-hydroxy-7-nonen-1-yl)-4-methyl-3,8-dioxabicyclo(3.2.1)octane-1-acetic acid and intermediates | ORTHO PHARMACEUTICAL CORPORATION (US) | 1981-01-07 | — | — | EP | disclosed |
| US-4237055-A | Synthesis of 1RS,4SR,5RS-4-(4,8-dimethyl-5-hydroxy-7-nonen-1-yl)-4-methyl-3,8-dioxabicyclo[3.2.1]octane-1-acetic acid | ORTHO PHARMACEUTICAL CORPORATION (US) | 1980-12-02 | — | — | US | disclosed |