⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15317434 | 0.96 | — | — | |
| SCHEMBL18032048 | 0.93 | TLR4 (0.32) | — | |
| SCHEMBL6402964 | 0.93 | TLR4 (0.32) | — | |
| SCHEMBL6402962 | 0.93 | TLR4 (0.32) | — | |
| SCHEMBL6402958 | 0.93 | TLR4 (0.32) | — | |
| SCHEMBL14226617 | 0.90 | — | — | |
| SCHEMBL14226598 | 0.89 | — | — | |
| SCHEMBL20118270 | 0.89 | SCN9A (0.32) | — | |
| SCHEMBL15744384 | 0.88 | — | — | |
| SCHEMBL15745005 | 0.88 | — | — |
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-20120313041-A1 | FOUR-RING COMPOUND HAVING A PLURALITY OF CF2O BONDING GROUPS, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | JNC PETROCHEMICAL CORPORATION (JP) | 2012-12-13 | — | — | US | disclosed |
| US-20120313041-A1 | FOUR-RING COMPOUND HAVING A PLURALITY OF CF2O BONDING GROUPS, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | JNC PETROCHEMICAL CORPORATION (JP) | 2012-12-13 | — | — | US | disclosed |