⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20126220 | 0.87 | — | — | |
| SCHEMBL20126298 | 0.70 | MCHR1 (0.34) | — | |
| SCHEMBL11015589 | 0.68 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL11014027 | 0.68 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL11014025 | 0.68 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL11016313 | 0.68 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL11015594 | 0.68 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL11016315 | 0.68 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL9301383 | 0.67 | — | — | |
| SCHEMBL20126238 | 0.66 | — | — |
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 |