⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8730349 | 1.00 | — | — | |
| SCHEMBL8730362 | 1.00 | — | — | |
| SCHEMBL8730343 | 1.00 | — | — | |
| SCHEMBL8727582 | 0.94 | TDP1 (0.32) | — | |
| SCHEMBL8727573 | 0.94 | TDP1 (0.32) | — | |
| SCHEMBL8727578 | 0.94 | TDP1 (0.32) | — | |
| SCHEMBL8725329 | 0.89 | ESR2 (0.33) | — | |
| SCHEMBL8725326 | 0.89 | ESR2 (0.33) | — | |
| SCHEMBL8725336 | 0.89 | ESR2 (0.33) | — | |
| SCHEMBL8725333 | 0.89 | ESR2 (0.33) | — |
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-0882695-A1 | BENZYL ETHER DERIVATIVES, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY | CHISSO CORPORATION (JP) | 1998-12-09 | — | — | EP | disclosed |