⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16877728 | 0.82 | — | — | |
| SCHEMBL16877927 | 0.73 | — | — | |
| SCHEMBL16878437 | 0.72 | — | — | |
| SCHEMBL16877867 | 0.71 | — | — | |
| SCHEMBL16878706 | 0.69 | NOS2 (0.32) | — | |
| SCHEMBL16878339 | 0.69 | — | — | |
| SCHEMBL16877758 | 0.69 | — | — | |
| SCHEMBL16878430 | 0.68 | — | — | |
| SCHEMBL16878124 | 0.67 | — | — | |
| SCHEMBL16878035 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0039595-B1 | TOTAL 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 RELATED COMPOUNDS | ORTHO PHARMACEUTICAL CORPORATION (US) | 1985-03-27 | — | — | EP | disclosed |