⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20126302 | 0.96 | MAOA (0.30) | — | |
| SCHEMBL20126134 | 0.88 | — | — | |
| SCHEMBL20126185 | 0.87 | — | — | |
| SCHEMBL20126181 | 0.84 | CYP3A4 (0.35) | — | |
| SCHEMBL20126309 | 0.83 | — | — | |
| SCHEMBL20126139 | 0.82 | — | — | |
| SCHEMBL20126177 | 0.81 | DRD2 (0.36) | — | |
| SCHEMBL20126206 | 0.79 | ESR2 (0.38) | — | |
| SCHEMBL20126116 | 0.78 | — | — | |
| SCHEMBL20126329 | 0.78 | CYP2C9 (0.43) | — |
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 |