⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17830489 | 0.98 | — | — | |
| SCHEMBL17830534 | 0.89 | — | — | |
| SCHEMBL17830634 | 0.87 | — | — | |
| SCHEMBL7158190 | 0.82 | SMN1; SMN2 (0.30) | — | |
| SCHEMBL6508583 | 0.79 | — | — | |
| SCHEMBL14732305 | 0.79 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL17830682 | 0.79 | ALDH1A1 (0.32) | — | |
| SCHEMBL10452469 | 0.77 | LMNA (0.35) | — | |
| SCHEMBL9712606 | 0.77 | LMNA (0.35) | — | |
| SCHEMBL27785024 | 0.77 | SMN1; SMN2 (0.33) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9850428-B2 | Compound having poly (difluoromethylene) chain, liquid crystal composition and liquid crystal display device | JNC CORPORATION (JP) | 2017-12-26 | — | — | US | disclosed |
| US-9850428-B2 | Compound having poly (difluoromethylene) chain, liquid crystal composition and liquid crystal display device | JNC CORPORATION (JP) | 2017-12-26 | — | — | US | disclosed |
| US-20160168466-A1 | COMPOUND HAVING POLY (DIFLUOROMETHYLENE) CHAIN, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | JNC CORPORATION (JP) | 2016-06-16 | — | — | US | disclosed |
| US-20160168466-A1 | COMPOUND HAVING POLY (DIFLUOROMETHYLENE) CHAIN, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | JNC CORPORATION (JP) | 2016-06-16 | — | — | US | disclosed |