⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28843758 | 0.95 | — | — | |
| SCHEMBL13038050 | 0.89 | THRB (0.30) | — | |
| SCHEMBL691271 | 0.81 | — | — | |
| SCHEMBL9659328 | 0.77 | — | — | |
| SCHEMBL18944397 | 0.75 | THRB (0.36) | — | |
| SCHEMBL11211919 | 0.75 | — | — | |
| SCHEMBL21987118 | 0.73 | — | — | |
| SCHEMBL876805 | 0.72 | — | — | |
| SCHEMBL620129 | 0.72 | HTT (0.31) | — | |
| SCHEMBL1472438 | 0.72 | THRB (0.48) | — |
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-0278020-B1 | 2-SUBSTITUTED 4,4,7,7-TETRAMETHYL-1,3-DIOXACYCLOHEPTANES, THEIR PREPARATION AND USE AS PARFUMES | BASF Aktiengesellschaft (DE) | 1989-05-24 | — | — | EP | disclosed |