⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8837108 | 0.92 | KDM1A (0.30) | — | |
| SCHEMBL8653174 | 0.88 | — | — | |
| SCHEMBL8042351 | 0.81 | HTR1A (0.35) | — | |
| SCHEMBL8656970 | 0.80 | — | — | |
| SCHEMBL8541453 | 0.80 | HTR1A (0.32) | — | |
| SCHEMBL8027627 | 0.80 | CYP3A4 (0.38) | — | |
| SCHEMBL9061898 | 0.79 | GAA (0.38) | — | |
| SCHEMBL8931543 | 0.79 | GAA (0.38) | — | |
| SCHEMBL29934853 | 0.79 | GAA (0.38) | — | |
| SCHEMBL28969466 | 0.78 | GAA (0.41) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0687678-B1 | Cyclohexanone compounds, process for preparing the same, and processes for preparing silacyclohexane-based liquid crystal compounds from the cyclohexanone compounds | SHINETSU CHEMICAL CO (JP) | 2000-03-22 | — | — | EP | disclosed |
| US-5693841-A | Cyclohexanone compounds, process for preparing the same, and processes for preparing silacyclohexane-based liquid crystal compounds from the cyclohexanone compounds | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1997-12-02 | — | — | US | disclosed |
| EP-0765880-A1 | Process for preparing sil acyclohexane-based liquid crystal compounds from silacyclohexanone compounds | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1997-04-02 | — | — | EP | disclosed |
| EP-0687678-A1 | Cyclohexanone compounds, process for preparing the same, and processes for preparing silacyclohexane-based liquid crystal compounds from the cyclohexanone compounds | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1995-12-20 | — | — | EP | disclosed |