⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10019642 | 0.93 | PDE5A (0.32) | — | |
| SCHEMBL9419258 | 0.90 | CCNT1 (0.31) | — | |
| SCHEMBL10019651 | 0.86 | — | — | |
| SCHEMBL12511730 | 0.85 | — | — | |
| SCHEMBL8932703 | 0.85 | ESR2 (0.34) | — | |
| SCHEMBL8938968 | 0.85 | ESR2 (0.34) | — | |
| SCHEMBL9419271 | 0.84 | CCNT1 (0.30) | — | |
| SCHEMBL10019619 | 0.84 | — | — | |
| SCHEMBL2889948 | 0.83 | ESR1 (0.33) | — | |
| SCHEMBL13378154 | 0.83 | CCNT1 (0.31) | — |
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-9790427-B2 | Liquid crystal compound having a 3,6-dihydro-2H-pyran ring, negative dielectric anisotropy, liquid crystal composition and liquid crystal display device | JNC CORPORATION (JP) | 2017-10-17 | — | — | US | disclosed |
| US-20160230094-A1 | LIQUID CRYSTAL COMPOUND HAVING A 3,6-DIHYDRO-2H-PYRAN RING, NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | JNC CORPORATION (JP) | 2016-08-11 | — | — | US | disclosed |