⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21609900 | 0.89 | — | — | |
| SCHEMBL21609909 | 0.85 | — | — | |
| SCHEMBL21609906 | 0.85 | — | — | |
| SCHEMBL13000258 | 0.85 | — | — | |
| SCHEMBL21609897 | 0.84 | — | — | |
| SCHEMBL19863291 | 0.84 | — | — | |
| SCHEMBL21609911 | 0.83 | CTSL (0.35) | — | |
| SCHEMBL8969127 | 0.82 | — | — | |
| SCHEMBL19863289 | 0.82 | CTSL (0.34) | — | |
| SCHEMBL21609912 | 0.81 | TYR (0.30) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10519377-B1 | Liquid crystal composition of negative monomer containing cyclopentyl cyclohexenyl and liquid crystal display element or liquid crystal display thereof | Shijiazhuang Chengzhi Yonghua Display Material Co., Ltd (CN) | 2019-12-31 | — | — | US | disclosed |