⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4727595 | 0.53 | — | — | |
| SCHEMBL21737311 | 0.51 | — | — | |
| SCHEMBL6903877 | 0.51 | — | — | |
| SCHEMBL3849595 | 0.47 | — | — | |
| SCHEMBL11802014 | 0.43 | — | — | |
| SCHEMBL18169663 | 0.43 | — | — | |
| SCHEMBL129122 | 0.42 | — | — | |
| SCHEMBL1445441 | 0.39 | — | — | |
| SCHEMBL1445443 | 0.39 | — | — | |
| SCHEMBL17796894 | 0.39 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-10236990-A | — | — | None | — | — | JP | disclosed |
| JP-H10236990-A | LIQUID CRYSTAL COMPOUND HAVING NEGATIVE ANISOTROPIC VALUE OF DIELECTRIC CONSTANT, LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME AND LIQUID CRYSTAL DISPLAY ELEMENT USING THE COMPOSITION | CHISSO CORP | 1998-09-08 | — | — | JP | disclosed |