⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12822819 | 1.00 | — | — | |
| SCHEMBL12716208 | 0.89 | — | — | |
| SCHEMBL12823671 | 0.89 | — | — | |
| SCHEMBL12718697 | 0.88 | FPR2 (0.30) | — | |
| SCHEMBL12823673 | 0.88 | KDM1A (0.33) | — | |
| SCHEMBL12822494 | 0.87 | ESR1 (0.32) | — | |
| SCHEMBL12822433 | 0.87 | PELI1 (0.31) | — | |
| SCHEMBL12821231 | 0.87 | CYP17A1 (0.33) | — | |
| SCHEMBL12821272 | 0.83 | — | — | |
| SCHEMBL12718166 | 0.83 | — | — |
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 |