⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12718249 | 0.87 | — | — | |
| SCHEMBL12823690 | 0.86 | KCNA3 (0.32) | — | |
| SCHEMBL12908022 | 0.85 | — | — | |
| SCHEMBL13586083 | 0.85 | — | — | |
| SCHEMBL12821186 | 0.84 | — | — | |
| SCHEMBL12822517 | 0.84 | — | — | |
| SCHEMBL12823054 | 0.83 | TUBB1 (0.30) | — | |
| SCHEMBL12822708 | 0.81 | OPRL1 (0.33) | — | |
| SCHEMBL12821090 | 0.81 | GSTO1 (0.30) | — | |
| SCHEMBL13586188 | 0.81 | TUBB1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110090450-A1 | FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | JNC CORPORATION (JP) | 2011-04-21 | — | — | US | disclosed |