⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21163380 | 0.80 | GAA (0.37) | — | |
| SCHEMBL21163035 | 0.80 | CHRM2 (0.34) | — | |
| SCHEMBL21162873 | 0.76 | CYP2D6 (0.34) | — | |
| SCHEMBL21163540 | 0.74 | GAA (0.35) | — | |
| SCHEMBL21163200 | 0.73 | GAA (0.34) | — | |
| SCHEMBL21163426 | 0.72 | TSHR (0.33) | — | |
| SCHEMBL21163304 | 0.72 | GAA (0.40) | — | |
| SCHEMBL21163387 | 0.72 | GAA (0.39) | — | |
| SCHEMBL21163334 | 0.69 | CHRM2 (0.31) | — | |
| SCHEMBL21163439 | 0.68 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10975305-B2 | Piperidine derivative, liquid crystal composition, and liquid crystal display element | JNC CORPORATION (JP) | 2021-04-13 | — | — | US | disclosed |
| US-20190194542-A1 | PIPERIDINE DERIVATIVE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT | JNC CORPORATION (JP) | 2019-06-27 | — | — | US | disclosed |