⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7759916 | 0.81 | — | — | |
| SCHEMBL7758786 | 0.80 | — | — | |
| SCHEMBL7759928 | 0.73 | KCNH2 (0.32) | — | |
| SCHEMBL7758069 | 0.70 | — | — | |
| SCHEMBL7758031 | 0.70 | KDM4E (0.32) | — | |
| SCHEMBL8837098 | 0.64 | SLC6A2 (0.31) | — | |
| SCHEMBL7766044 | 0.63 | — | — | |
| SCHEMBL7762119 | 0.62 | — | — | |
| SCHEMBL8021126 | 0.60 | HRH3 (0.38) | — | |
| SCHEMBL7758787 | 0.60 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0711777-B1 | Cyclohexanone compounds, a process for preparing the cyclohexanone compounds, and a process for preparing silacyclohexane-based compounds from the cyclohexanone compounds | SHINETSU CHEMICAL CO (JP) | 2001-04-04 | — | — | EP | disclosed |
| EP-0711777-A1 | Cyclohexanone compounds, a process for preparing the cyclohexanone compounds, and a process for preparing silacyclohexane-based compounds from the cyclohexanone compounds | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1996-05-15 | — | — | EP | disclosed |