⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12994385 | 0.92 | — | — | |
| SCHEMBL12994738 | 0.92 | BRD4 (0.31) | — | |
| SCHEMBL12716629 | 0.85 | BRD4 (0.30) | — | |
| SCHEMBL12907535 | 0.84 | — | — | |
| SCHEMBL12889162 | 0.84 | DRD4 (0.30) | — | |
| SCHEMBL12821201 | 0.83 | OPRL1 (0.30) | — | |
| SCHEMBL12906837 | 0.82 | — | — | |
| SCHEMBL12906835 | 0.82 | GSTO1 (0.32) | — | |
| SCHEMBL12821249 | 0.81 | — | — | |
| SCHEMBL10301832 | 0.81 | CYP1A1 (0.36) | — |
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-20110037024-A1 | THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE | CHISSO CORPORATION (JP) | 2011-02-17 | — | — | US | disclosed |
| EP-2266941-A1 | TRICYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | Chisso Corporation (JP) | 2010-12-29 | — | — | EP | disclosed |