⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20126183 | 0.82 | GPR119 (0.33) | — | |
| SCHEMBL20126137 | 0.80 | — | — | |
| SCHEMBL20126228 | 0.73 | BACE1 (0.31) | — | |
| SCHEMBL20126161 | 0.73 | — | — | |
| SCHEMBL20126325 | 0.72 | GPR119 (0.34) | — | |
| SCHEMBL20126110 | 0.71 | — | — | |
| SCHEMBL20126305 | 0.70 | GPR119 (0.30) | — | |
| SCHEMBL31650973 | 0.69 | OPRL1 (0.35) | — | |
| SCHEMBL20126240 | 0.69 | OPRL1 (0.34) | — | |
| SCHEMBL20126203 | 0.68 | TLR8 (0.32) | — |
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 |