⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18007089 | 0.83 | — | — | |
| SCHEMBL20380691 | 0.82 | — | — | |
| SCHEMBL17070812 | 0.79 | — | — | |
| SCHEMBL20380696 | 0.77 | — | — | |
| SCHEMBL20380735 | 0.76 | — | — | |
| SCHEMBL17365969 | 0.76 | — | — | |
| SCHEMBL20380566 | 0.75 | AKR1C3 (0.32) | — | |
| SCHEMBL18007042 | 0.74 | — | — | |
| SCHEMBL20380622 | 0.74 | RPS6KA3 (0.35) | — | |
| SCHEMBL20380683 | 0.73 | ALOX5AP (0.30) | — |
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 |