⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18855029 | 0.92 | — | — | |
| SCHEMBL16186367 | 0.89 | CYP3A4 (0.36) | — | |
| SCHEMBL16546479 | 0.89 | CYP3A4 (0.33) | — | |
| SCHEMBL17147788 | 0.89 | CYP3A4 (0.33) | — | |
| SCHEMBL16978420 | 0.89 | CYP3A4 (0.36) | — | |
| SCHEMBL18458554 | 0.88 | ESR2 (0.37) | — | |
| SCHEMBL10027435 | 0.88 | ESR2 (0.36) | — | |
| SCHEMBL21019055 | 0.88 | CYP3A4 (0.37) | — | |
| SCHEMBL17070200 | 0.88 | CYP3A4 (0.37) | — | |
| SCHEMBL19159254 | 0.87 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2792728-B1 | LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL DISPLAY ELEMENT, AND LIQUID CRYSTAL DISPLAY | DAINIPPON INK & CHEMICALS (JP) | 2018-03-28 | — | — | EP | disclosed |