⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8449305 | 0.92 | MEN1 (0.32) | — | |
| SCHEMBL7755593 | 0.90 | KCNH2 (0.32) | — | |
| SCHEMBL8732796 | 0.89 | KCNH2 (0.34) | — | |
| SCHEMBL7755549 | 0.88 | — | — | |
| SCHEMBL7758047 | 0.86 | — | — | |
| SCHEMBL7756295 | 0.85 | OPRK1 (0.30) | — | |
| SCHEMBL8021312 | 0.84 | MEN1 (0.32) | — | |
| SCHEMBL8017954 | 0.83 | L3MBTL1 (0.33) | — | |
| SCHEMBL7758954 | 0.82 | ALDH1A1 (0.31) | — | |
| SCHEMBL8448145 | 0.82 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0696591-B1 | Process for preparing silacyclohexane-based liquid crystal compounds | SHINETSU CHEMICAL CO (JP) | 2001-03-14 | — | — | EP | disclosed |
| 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-6004478-A | LIQUID CRYSTAL | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1999-12-21 | — | — | US | disclosed |
| US-5730901-A | Silacyclohexane compounds, preparation thereof liquid crystal compositions comprising the same, and liquid crystal devices comprising the composition | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1998-03-24 | — | — | US | 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-0742222-A2 | Novel silacyclohexane compounds, preparation thereof, liquid crystal compositions comprising the same, and liquid crystal devices comprising the composition | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1996-11-13 | — | — | EP | disclosed |
| EP-0732335-A1 | Novel silacyclohexane compounds, preparation thereof, liquid crystal compositions comprising the same, and liquid crystal devices comprising the composition | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1996-09-18 | — | — | EP | disclosed |
| US-5514824-A | Process for preparing silacyclohexane-base liquid crystal compounds | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1996-05-07 | — | — | US | disclosed |
| EP-0696591-A1 | Process for preparing silacyclohexane-based liquid crystal compounds | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1996-02-14 | — | — | 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 |