⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12223294 | 0.92 | ALOX5AP (0.30) | — | |
| SCHEMBL11939199 | 0.91 | STS (0.30) | — | |
| SCHEMBL11939004 | 0.91 | STS (0.30) | — | |
| SCHEMBL12222818 | 0.90 | ALOX5AP (0.32) | — | |
| SCHEMBL12223401 | 0.84 | — | — | |
| SCHEMBL12196489 | 0.84 | HTR2C (0.33) | — | |
| SCHEMBL12223931 | 0.84 | HTR2C (0.33) | — | |
| SCHEMBL11946194 | 0.83 | CCNT1 (0.33) | — | |
| SCHEMBL15381657 | 0.82 | — | — | |
| SCHEMBL15381554 | 0.82 | — | — |
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-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 |