⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12836049 | 0.95 | — | — | |
| SCHEMBL11942584 | 0.93 | — | — | |
| SCHEMBL11942581 | 0.91 | — | — | |
| SCHEMBL12836673 | 0.90 | — | — | |
| SCHEMBL12836045 | 0.88 | — | — | |
| SCHEMBL11939761 | 0.87 | PIM1 (0.30) | — | |
| SCHEMBL11943412 | 0.86 | DGAT1 (0.30) | — | |
| SCHEMBL12907988 | 0.86 | — | — | |
| SCHEMBL12223871 | 0.86 | — | — | |
| SCHEMBL12836039 | 0.85 | — | — |
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-2479162-A1 | LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT | JNC Corporation (JP) | 2012-07-25 | — | — | EP | disclosed |