⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12224044 | 0.93 | — | — | |
| SCHEMBL12223934 | 0.92 | — | — | |
| SCHEMBL12224579 | 0.89 | ESR2 (0.34) | — | |
| SCHEMBL12224063 | 0.88 | GPR119 (0.33) | — | |
| SCHEMBL12224072 | 0.88 | GPR119 (0.33) | — | |
| SCHEMBL12224051 | 0.87 | — | — | |
| SCHEMBL28690958 | 0.85 | TLR4 (0.36) | — | |
| SCHEMBL14922570 | 0.83 | — | — | |
| SCHEMBL12223362 | 0.83 | OPRL1 (0.36) | — | |
| SCHEMBL13937210 | 0.82 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20110240919-A1 | FIVE-RING COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | CHISSO CORPORATION (JP) | 2011-10-06 | — | — | US | disclosed |