⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9717675 | 0.62 | — | — | |
| SCHEMBL14763860 | 0.57 | — | — | |
| SCHEMBL4595631 | 0.55 | — | — | |
| SCHEMBL9696753 | 0.54 | — | — | |
| SCHEMBL8836426 | 0.54 | — | — | |
| SCHEMBL10909788 | 0.54 | MEN1 (0.30) | — | |
| SCHEMBL1426551 | 0.52 | — | — | |
| SCHEMBL27811721 | 0.52 | CYP19A1 (0.32) | — | |
| SCHEMBL10292501 | 0.52 | — | — | |
| SCHEMBL9641748 | 0.51 | — | — |
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-0340645-B1 | FORMYL-TRIMETHYLBICYCLO(2,2,2)OCT-7-ENE ISOMERS | Henkel Kommanditgesellschaft auf Aktien (DE) | 1992-09-02 | — | — | EP | claimed |
| EP-0340645-A1 | Formyl-Trimethylbicyclo(2,2,2)oct-7-ene Isomers | Henkel Kommanditgesellschaft auf Aktien (DE) | 1989-11-08 | — | — | EP | claimed |
| EP-0340645-B1 | FORMYL-TRIMETHYLBICYCLO(2,2,2)OCT-7-ENE ISOMERS | Henkel Kommanditgesellschaft auf Aktien (DE) | 1992-09-02 | — | — | EP | disclosed |
| EP-0340645-A1 | Formyl-Trimethylbicyclo(2,2,2)oct-7-ene Isomers | Henkel Kommanditgesellschaft auf Aktien (DE) | 1989-11-08 | — | — | EP | disclosed |
| EP-0340645-A1 | Formyl-Trimethylbicyclo(2,2,2)oct-7-ene Isomers | Henkel Kommanditgesellschaft auf Aktien (DE) | 1989-11-08 | — | — | EP | disclosed |