⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10091445 | 0.96 | NOTUM (0.31) | — | |
| SCHEMBL12222809 | 0.85 | ADRA2A (0.31) | — | |
| SCHEMBL10091400 | 0.85 | NOTUM (0.30) | — | |
| SCHEMBL11966369 | 0.84 | NOTUM (0.30) | — | |
| SCHEMBL10091401 | 0.83 | ESR1 (0.33) | — | |
| SCHEMBL10091382 | 0.82 | — | — | |
| SCHEMBL10091425 | 0.82 | PDE4A (0.32) | — | |
| SCHEMBL12223289 | 0.81 | ADRA2A (0.35) | — | |
| SCHEMBL12223952 | 0.80 | ADRA2A (0.41) | — | |
| SCHEMBL10303345 | 0.80 | ADRA2A (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20120018672-A1 | LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | CHISSO PETROCHEMICAL CORPORATION (JP) | 2012-01-26 | — | — | US | disclosed |
| US-20110240919-A1 | FIVE-RING COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | CHISSO CORPORATION (JP) | 2011-10-06 | — | — | US | disclosed |