⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4164758 | 0.85 | — | — | |
| SCHEMBL2358857 | 0.71 | — | — | |
| SCHEMBL5591412 | 0.67 | — | — | |
| SCHEMBL18741243 | 0.64 | — | — | |
| SCHEMBL29992254 | 0.64 | — | — | |
| SCHEMBL28851216 | 0.60 | — | — | |
| SCHEMBL15841093 | 0.60 | — | — | |
| SCHEMBL21523570 | 0.60 | — | — | |
| SCHEMBL8103295 | 0.60 | — | — | |
| SCHEMBL19897498 | 0.58 | — | — |
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-0340645-B1 | FORMYL-TRIMETHYLBICYCLO(2,2,2)OCT-7-ENE ISOMERS | Henkel Kommanditgesellschaft auf Aktien (DE) | 1992-09-02 | — | — | EP | disclosed |
| US-4992416-A | Perfumes | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 1991-02-12 | — | — | US | disclosed |
| EP-0340645-A1 | Formyl-Trimethylbicyclo(2,2,2)oct-7-ene Isomers | Henkel Kommanditgesellschaft auf Aktien (DE) | 1989-11-08 | — | — | EP | disclosed |