⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18252110 | 0.90 | — | — | |
| SCHEMBL18251983 | 0.85 | — | — | |
| SCHEMBL15460685 | 0.81 | — | — | |
| SCHEMBL18252052 | 0.81 | — | — | |
| SCHEMBL18252125 | 0.80 | — | — | |
| SCHEMBL18251996 | 0.79 | SPHK1 (0.31) | — | |
| SCHEMBL18251978 | 0.79 | HTR2C (0.36) | — | |
| SCHEMBL18032177 | 0.79 | — | — | |
| SCHEMBL6663055 | 0.79 | — | — | |
| SCHEMBL18032183 | 0.78 | — | — |
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-20160244670-A1 | LIQUID CRYSTAL COMPOUND HAVING VINYLENE GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | JNC CORPORATION (JP) | 2016-08-25 | — | — | US | disclosed |
| US-20160244670-A1 | LIQUID CRYSTAL COMPOUND HAVING VINYLENE GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | JNC CORPORATION (JP) | 2016-08-25 | — | — | US | disclosed |