⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8026441 | 0.90 | — | — | |
| SCHEMBL7752933 | 0.86 | — | — | |
| SCHEMBL8837083 | 0.83 | NFKB1 (0.31) | — | |
| SCHEMBL7755549 | 0.79 | — | — | |
| SCHEMBL31473483 | 0.70 | TLR4 (0.31) | — | |
| SCHEMBL15636325 | 0.70 | TP53 (0.36) | — | |
| SCHEMBL10022011 | 0.69 | TLR4 (0.33) | — | |
| SCHEMBL15204056 | 0.69 | TLR4 (0.33) | — | |
| SCHEMBL919147 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL15203851 | 0.68 | TLR4 (0.44) | — |
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-0696591-B1 | Process for preparing silacyclohexane-based liquid crystal compounds | SHINETSU CHEMICAL CO (JP) | 2001-03-14 | — | — | 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 |