⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10302983 | 0.96 | ACACB (0.30) | — | |
| SCHEMBL10302979 | 0.92 | PPARA (0.31) | — | |
| SCHEMBL10303336 | 0.89 | SLC10A2 (0.33) | — | |
| SCHEMBL12821202 | 0.88 | — | — | |
| SCHEMBL12823030 | 0.88 | FFAR1 (0.30) | — | |
| SCHEMBL10302947 | 0.88 | — | — | |
| SCHEMBL10303000 | 0.86 | ACACB (0.30) | — | |
| SCHEMBL10303296 | 0.84 | ACACB (0.34) | — | |
| SCHEMBL10302944 | 0.84 | — | — | |
| SCHEMBL12822591 | 0.84 | ACACB (0.30) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8216489-B2 | Three-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device | JNC CORPORATION (JP) | 2012-07-10 | — | — | US | disclosed |
| US-20110037024-A1 | THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE | CHISSO CORPORATION (JP) | 2011-02-17 | — | — | US | disclosed |
| EP-2266941-A1 | TRICYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | Chisso Corporation (JP) | 2010-12-29 | — | — | EP | disclosed |