⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19337398 | 1.00 | — | — | |
| SCHEMBL19259355 | 0.73 | — | — | |
| SCHEMBL3683019 | 0.62 | CYP19A1 (0.33) | — | |
| SCHEMBL7150839 | 0.60 | — | — | |
| SCHEMBL22386653 | 0.59 | — | — | |
| SCHEMBL22604176 | 0.59 | — | — | |
| SCHEMBL6045732 | 0.57 | — | — | |
| SCHEMBL19043993 | 0.57 | — | — | |
| SCHEMBL6758033 | 0.57 | — | — | |
| SCHEMBL6758031 | 0.57 | — | — |
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-0012198-B1 | ALLYLIC REARRANGEMENT PROCESS | SCM CORPORATION (US) | 1982-07-14 | — | — | EP | disclosed |
| US-4254291-A | FORMING METAL ESTERS OR ALCOHOLATES, ISOMERIZATION AND HYDROLYSIS USING A TRANSITION METAL COMPOUND CATALYST | SCM CORPORATION (US) | 1981-03-03 | — | — | US | disclosed |
| EP-0012198-A1 | Allylic rearrangement process | SCM CORPORATION (US) | 1980-06-25 | — | — | EP | disclosed |