⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11939838 | 1.00 | — | — | |
| SCHEMBL12223908 | 0.96 | — | — | |
| SCHEMBL12836814 | 0.93 | — | — | |
| SCHEMBL12836813 | 0.91 | PIM1 (0.33) | — | |
| SCHEMBL12222887 | 0.91 | — | — | |
| SCHEMBL11939883 | 0.85 | NAAA (0.32) | — | |
| SCHEMBL12836564 | 0.85 | NAAA (0.32) | — | |
| SCHEMBL12836807 | 0.85 | CTSL (0.33) | — | |
| SCHEMBL11939842 | 0.85 | NAAA (0.32) | — | |
| SCHEMBL12836539 | 0.84 | HTR1A (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011033937-A1 | LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT | チッソ株式会社 (JP) | 2011-03-24 | — | — | WO | disclosed |