⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15723040 | 1.00 | — | — | |
| SCHEMBL19985287 | 0.97 | GAA (0.32) | — | |
| SCHEMBL15723041 | 0.97 | GAA (0.32) | — | |
| SCHEMBL15722922 | 0.96 | CYP1A2 (0.31) | — | |
| SCHEMBL19985295 | 0.96 | GAA (0.33) | — | |
| SCHEMBL19985296 | 0.96 | GAA (0.33) | — | |
| SCHEMBL15723042 | 0.96 | GAA (0.33) | — | |
| SCHEMBL19985305 | 0.96 | GAA (0.33) | — | |
| SCHEMBL15723039 | 0.93 | CYP2C9 (0.32) | — | |
| SCHEMBL19985279 | 0.93 | CYP2C9 (0.32) | — |
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-20180079959-A1 | LIQUID CRYSTAL ELEMENT WITH NEGATIVE DIELECTRIC ANISOTROPY | DIC CORPORATION (JP) | 2018-03-22 | — | — | US | disclosed |
| US-20180079959-A1 | LIQUID CRYSTAL ELEMENT WITH NEGATIVE DIELECTRIC ANISOTROPY | DIC CORPORATION (JP) | 2018-03-22 | — | — | US | disclosed |