⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24799882 | 0.89 | — | — | |
| SCHEMBL10313579 | 0.89 | — | — | |
| SCHEMBL13464047 | 0.89 | — | — | |
| SCHEMBL12807381 | 0.89 | — | — | |
| SCHEMBL13464007 | 0.84 | — | — | |
| SCHEMBL16071857 | 0.84 | — | — | |
| SCHEMBL16071826 | 0.84 | — | — | |
| SCHEMBL19884681 | 0.84 | EPHX2 (0.32) | — | |
| SCHEMBL14867246 | 0.84 | TLR4 (0.32) | — | |
| SCHEMBL18476165 | 0.84 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8858829-B2 | Cyclohexane compound and liquid crystal composition containing the same | ORGANO SCIENCE CO., LTD. (JP) | 2014-10-14 | — | — | US | disclosed |
| US-8858829-B2 | Cyclohexane compound and liquid crystal composition containing the same | ORGANO SCIENCE CO., LTD. (JP) | 2014-10-14 | — | — | US | disclosed |
| EP-2594548-A1 | CYCLOHEXANE COMPOUND AND LIQUID CRYSTAL COMPOSITION CONTAINING SAID COMPOUND | Organo Science Co. Ltd (JP) | 2013-05-22 | — | — | EP | disclosed |
| US-20130092875-A1 | CYCLOHEXANE COMPOUND AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME | CHIRACOL CO., LTD. (JP) | 2013-04-18 | — | — | US | disclosed |
| US-20130092875-A1 | CYCLOHEXANE COMPOUND AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME | CHIRACOL CO., LTD. (JP) | 2013-04-18 | — | — | US | disclosed |