⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2379574 | 1.00 | — | — | |
| SCHEMBL19428089 | 0.82 | KDM4E (0.34) | — | |
| SCHEMBL22507474 | 0.75 | MEN1 (0.32) | — | |
| SCHEMBL13057399 | 0.75 | MEN1 (0.32) | — | |
| SCHEMBL21162370 | 0.75 | MEN1 (0.32) | — | |
| SCHEMBL17850094 | 0.75 | MEN1 (0.32) | — | |
| SCHEMBL12201564 | 0.75 | — | — | |
| SCHEMBL18872293 | 0.75 | MEN1 (0.32) | — | |
| SCHEMBL23028337 | 0.71 | — | — | |
| SCHEMBL22478804 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4749797-A | Tetra-alkyl-2,2,5,5-cyclohexanone-4-01-1 compounds and their sulphonyl derivatives, the process and the intermediates for preparing them and their use in the synthesis of cis-cyclopropane lactones | ROUSSEL UCLAF (FR) | 1988-06-07 | — | — | US | disclosed |
| US-4610826-A | INTERMEDIATES FOR FUNGICIDES | ROUSSEL UCLAF (FR) | 1986-09-09 | — | — | US | disclosed |
| EP-0122202-A2 | Tetra-alkyl-2,2,5,5-cyclohexanon-4-ol-1 and its sulfonated derivatives, process and intermediates for its preparation and its use in the synthesis of cis-cyclopropanlactones | ROUSSEL-UCLAF (FR) | 1984-10-17 | — | — | EP | disclosed |