⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12197344 | 0.93 | CDK9 (0.31) | — | |
| SCHEMBL12197457 | 0.92 | — | — | |
| SCHEMBL12197474 | 0.92 | — | — | |
| SCHEMBL12197325 | 0.91 | CTSL (0.34) | — | |
| SCHEMBL12197350 | 0.91 | CTSL (0.34) | — | |
| SCHEMBL14922650 | 0.89 | CCNT1 (0.33) | — | |
| SCHEMBL12223345 | 0.89 | — | — | |
| SCHEMBL12197279 | 0.89 | HPGD (0.33) | — | |
| SCHEMBL12196624 | 0.86 | — | — | |
| SCHEMBL12196647 | 0.86 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8435422-B2 | Five-ring compound, liquid crystal composition and liquid crystal display device | JNC CORPORATION (JP) | 2013-05-07 | — | — | US | disclosed |
| US-8435422-B2 | Five-ring compound, liquid crystal composition and liquid crystal display device | JNC CORPORATION (JP) | 2013-05-07 | — | — | US | disclosed |
| US-20110240919-A1 | FIVE-RING COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | CHISSO CORPORATION (JP) | 2011-10-06 | — | — | US | disclosed |