⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12836548 | 0.97 | — | — | |
| SCHEMBL12836540 | 0.97 | — | — | |
| SCHEMBL12223474 | 0.95 | HTR1A (0.31) | — | |
| SCHEMBL12223468 | 0.93 | — | — | |
| SCHEMBL11939882 | 0.90 | HTR1A (0.30) | — | |
| SCHEMBL12836539 | 0.90 | HTR1A (0.30) | — | |
| SCHEMBL12224623 | 0.89 | — | — | |
| SCHEMBL11939835 | 0.88 | NAAA (0.30) | — | |
| SCHEMBL12836542 | 0.88 | — | — | |
| SCHEMBL12836554 | 0.87 | NAAA (0.34) | — |
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 |