⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18551919 | 0.93 | — | — | |
| SCHEMBL18551887 | 0.88 | GPR52 (0.30) | — | |
| SCHEMBL18540259 | 0.86 | RARB (0.39) | — | |
| SCHEMBL18540200 | 0.86 | RARB (0.36) | — | |
| SCHEMBL18540184 | 0.84 | RARB (0.32) | — | |
| SCHEMBL18551848 | 0.84 | AKR1C3 (0.34) | — | |
| SCHEMBL18551875 | 0.84 | AKR1C3 (0.34) | — | |
| SCHEMBL18540271 | 0.84 | TAAR1 (0.36) | — | |
| SCHEMBL18540260 | 0.83 | HTR2A (0.33) | — | |
| SCHEMBL18540248 | 0.82 | RARB (0.31) | — |
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-20170051206-A1 | LIQUID CRYSTAL COMPOUND HAVING ALKENYL ON BOTH ENDS, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | JNC CORPORATION (JP) | 2017-02-23 | — | — | US | disclosed |