⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20813905 | 0.95 | — | — | |
| SCHEMBL20813716 | 0.92 | — | — | |
| SCHEMBL20813717 | 0.90 | ALOX5AP (0.31) | — | |
| SCHEMBL20813903 | 0.90 | — | — | |
| SCHEMBL20813623 | 0.90 | — | — | |
| SCHEMBL20813532 | 0.89 | — | — | |
| SCHEMBL20813554 | 0.88 | GPR3 (0.30) | — | |
| SCHEMBL20803106 | 0.88 | — | — | |
| SCHEMBL20813865 | 0.88 | — | — | |
| SCHEMBL20803107 | 0.86 | — | — |
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-3453697-A1 | COMPOUND HAVING NAPHTHALENE RING, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT | JNC Corporation (JP) | 2019-03-13 | — | — | EP | disclosed |