⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11939243 | 0.93 | NAAA (0.31) | — | |
| SCHEMBL11939330 | 0.93 | NAAA (0.31) | — | |
| SCHEMBL12224596 | 0.89 | GPR119 (0.30) | — | |
| SCHEMBL11939329 | 0.89 | NAAA (0.32) | — | |
| SCHEMBL11939207 | 0.89 | NAAA (0.32) | — | |
| SCHEMBL12223862 | 0.88 | — | — | |
| SCHEMBL12224467 | 0.88 | — | — | |
| SCHEMBL10303226 | 0.88 | NAAA (0.33) | — | |
| SCHEMBL14922565 | 0.87 | NAAA (0.31) | — | |
| SCHEMBL12223469 | 0.87 | — | — |
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 |