⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9509039 | 0.88 | — | — | |
| SCHEMBL9509031 | 0.88 | — | — | |
| SCHEMBL9509025 | 0.88 | — | — | |
| SCHEMBL7519586 | 0.84 | — | — | |
| SCHEMBL9251699 | 0.84 | TSHR (0.30) | — | |
| SCHEMBL19339389 | 0.84 | TSHR (0.30) | — | |
| SCHEMBL9251688 | 0.84 | TSHR (0.30) | — | |
| SCHEMBL9251694 | 0.84 | TSHR (0.30) | — | |
| SCHEMBL19339201 | 0.83 | EPHX2 (0.35) | — | |
| SCHEMBL19339366 | 0.83 | EPHX2 (0.35) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0742275-B1 | LIQUID CRYSTAL COMPOUND AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME | CHISSO CORP (JP) | 2002-03-20 | — | — | EP | disclosed |
| US-5779936-A | FLUORINATED BICYCLOHEXANE OR CYCLOHEXYLETHYL CYCLOHEXANE DERIVATIVE HAVING LOW VISCOSITY AND HIGH CLEARING POINT TEMPERATURE | CHISSO CORPORATION (JP) | 1998-07-14 | — | — | US | disclosed |
| EP-0742275-A1 | LIQUID CRYSTAL COMPOUND AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME | CHISSO CORPORATION (JP) | 1996-11-13 | — | — | EP | disclosed |