⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20126110 | 0.87 | — | — | |
| SCHEMBL20126205 | 0.84 | DRD2 (0.38) | — | |
| SCHEMBL20126327 | 0.80 | DRD2 (0.41) | — | |
| SCHEMBL31650972 | 0.78 | CYP2C9 (0.44) | — | |
| SCHEMBL20126163 | 0.75 | — | — | |
| Fluoride SCHEMBL9841246 | 0.74 | ESR2 (0.37) | — | |
| SCHEMBL10896297 | 0.74 | ESR2 (0.39) | — | |
| SCHEMBL10896301 | 0.74 | ESR2 (0.39) | — | |
| SCHEMBL10896287 | 0.74 | ESR2 (0.39) | — | |
| SCHEMBL20126244 | 0.73 | DRD2 (0.39) | — |
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-20180127654-A1 | PIPERIDINE DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | JNC CORPORATION (JP) | 2018-05-10 | — | — | US | disclosed |
| US-20180127654-A1 | PIPERIDINE DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | JNC CORPORATION (JP) | 2018-05-10 | — | — | US | disclosed |