⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12994468 | 0.92 | OPRL1 (0.30) | — | |
| SCHEMBL11939766 | 0.91 | — | — | |
| SCHEMBL11939876 | 0.91 | — | — | |
| SCHEMBL12836029 | 0.90 | PIM1 (0.30) | — | |
| SCHEMBL12907634 | 0.87 | — | — | |
| SCHEMBL12836036 | 0.87 | DGAT1 (0.31) | — | |
| SCHEMBL12836542 | 0.87 | — | — | |
| SCHEMBL12994770 | 0.86 | OPRL1 (0.33) | — | |
| SCHEMBL12836677 | 0.86 | — | — | |
| SCHEMBL11939220 | 0.86 | KDM1A (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 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 |