⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24300881 | 0.93 | RARB (0.31) | — | |
| SCHEMBL24300953 | 0.91 | ESR1 (0.31) | — | |
| SCHEMBL24300959 | 0.90 | ESR1 (0.32) | — | |
| SCHEMBL24300907 | 0.87 | — | — | |
| SCHEMBL24301021 | 0.87 | CYP3A4 (0.35) | — | |
| SCHEMBL24300945 | 0.86 | ESR1 (0.31) | — | |
| SCHEMBL27410395 | 0.86 | ESR1 (0.31) | — | |
| SCHEMBL24300943 | 0.84 | ESR1 (0.31) | — | |
| SCHEMBL24300864 | 0.84 | RARB (0.34) | — | |
| SCHEMBL24300936 | 0.83 | FFAR4 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022068499-A1 | THIOPHENE-CONTAINING LIQUID CRYSTAL COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF | 北京八亿时空液晶科技股份有限公司 | 2022-04-07 | — | — | WO | disclosed |