⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5964967 | 0.80 | — | — | |
| SCHEMBL21038287 | 0.78 | — | — | |
| SCHEMBL12488040 | 0.76 | — | — | |
| SCHEMBL11092806 | 0.76 | — | — | |
| SCHEMBL21987122 | 0.74 | — | — | |
| SCHEMBL9544521 | 0.74 | EPHX1 (0.34) | — | |
| SCHEMBL14283617 | 0.72 | — | — | |
| SCHEMBL13398579 | 0.72 | — | — | |
| SCHEMBL13381111 | 0.72 | — | — | |
| SCHEMBL2550533 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0020058-B1 | TOTAL SYNTHESIS OF (1RS, 4SR, 5RS)-4-(4,8-DIMETHYL-5-HYDROXY-7-NONENYL)-4-METHYL-3,8-DIOXABICYCLO (3.2.1) OCTANE-1-ACETIC ACID, AND INTERMEDIATES | ORTHO PHARMACEUTICAL CORPORATION (US) | 1984-09-12 | — | — | EP | disclosed |
| EP-0020058-A1 | Total synthesis of (1RS, 4SR, 5RS)-4-(4,8-dimethyl-5-hydroxy-7-nonenyl)-4-methyl-3,8-dioxabicyclo (3.2.1) octane-1-acetic acid, and intermediates | ORTHO PHARMACEUTICAL CORPORATION (US) | 1980-12-10 | — | — | EP | disclosed |
| US-4237054-A | Total synthesis of (1RS,4SR,5RS)-4-(4,8-dimethyl-5-hydroxy-7-nonenyl)-4-methyl-3,8-dioxabicyclo[3.2.1] octane-1-acetic acid | ORTHO PHARMACEUTICAL CORPORATION (US) | 1980-12-02 | — | — | US | disclosed |
| US-4221717-A | Total synthesis of the utero-evacuant substance D,L-zoapatanol | ORTHO PHARMACEUTICAL CORPORATION (US) | 1980-09-09 | — | — | US | disclosed |
| US-4182717-A | Total synthesis of the utero-evacuant substance d,l-zoapatanol | ORTHO PHARMACEUTICAL CORP. (US) | 1980-01-08 | — | — | US | disclosed |