⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13878839 | 0.91 | — | — | |
| SCHEMBL13878838 | 0.91 | — | — | |
| SCHEMBL23130440 | 0.90 | TP53 (0.38) | — | |
| SCHEMBL15588225 | 0.87 | EPHX2 (0.34) | — | |
| SCHEMBL21577980 | 0.86 | CYP19A1 (0.35) | — | |
| SCHEMBL8455346 | 0.82 | CYP19A1 (0.40) | — | |
| SCHEMBL8455344 | 0.82 | CYP19A1 (0.40) | — | |
| SCHEMBL17510167 | 0.81 | EPHX2 (0.30) | — | |
| SCHEMBL337473 | 0.81 | EPHX2 (0.30) | — | |
| SCHEMBL16977501 | 0.81 | EPHX2 (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 |
|---|---|---|---|---|---|---|---|
| EP-3088426-B1 | COMPOUND CONTAINING MESOGENIC GROUP, AND MIXTURE, COMPOSITION, AND OPTICALLY ANISOTROPIC BODY USING SAID COMPOUND | DAINIPPON INK & CHEMICALS (JP) | 2021-03-24 | — | — | EP | disclosed |