⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12023824 | 0.91 | CTSL (0.33) | — | |
| SCHEMBL12024212 | 0.91 | CTSL (0.33) | — | |
| SCHEMBL22277545 | 0.89 | KDM1A (0.33) | — | |
| SCHEMBL3437330 | 0.89 | KDM1A (0.33) | — | |
| SCHEMBL22277709 | 0.89 | — | — | |
| SCHEMBL22277680 | 0.89 | — | — | |
| SCHEMBL12760248 | 0.88 | HTR2C (0.33) | — | |
| SCHEMBL12760076 | 0.88 | HTR2C (0.33) | — | |
| SCHEMBL12760083 | 0.88 | HTR2C (0.33) | — | |
| SCHEMBL12760278 | 0.88 | HTR2C (0.33) | — |
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-20200239775-A1 | TETRACYCLIC LIQUID CRYSTAL COMPOUND HAVING DIATOMIC BONDING GROUP AND 2,3-DIFLUOROPHENYLENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | JNC CORPORATION (JP) | 2020-07-30 | — | — | US | disclosed |