⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13614597 | 0.96 | ALDH1A1 (0.34) | — | |
| SCHEMBL13615560 | 0.91 | FYN (0.30) | — | |
| SCHEMBL9763991 | 0.87 | CYP1A2 (0.32) | — | |
| SCHEMBL12436785 | 0.86 | MAPT (0.30) | — | |
| SCHEMBL13615107 | 0.83 | RARB (0.30) | — | |
| SCHEMBL13614801 | 0.83 | PKM (0.31) | — | |
| SCHEMBL881048 | 0.83 | — | — | |
| SCHEMBL9503692 | 0.82 | ALDH1A1 (0.37) | — | |
| SCHEMBL13614927 | 0.82 | RARB (0.31) | — | |
| SCHEMBL881044 | 0.82 | RARB (0.31) | — |
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-2433923-A1 | CHLOROBENZENE DERIVATIVE, OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM, AND OPTICAL ELEMENT | JNC Corporation (JP) | 2012-03-28 | — | — | EP | disclosed |