⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28257131 | 0.80 | — | — | |
| SCHEMBL14347067 | 0.80 | — | — | |
| SCHEMBL14616125 | 0.80 | — | — | |
| SCHEMBL6786707 | 0.80 | — | — | |
| SCHEMBL7249928 | 0.80 | — | — | |
| SCHEMBL6789805 | 0.80 | — | — | |
| SCHEMBL15385107 | 0.77 | — | — | |
| SCHEMBL14646570 | 0.77 | — | — | |
| SCHEMBL19596611 | 0.70 | — | — | |
| SCHEMBL12654248 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012053421-A1 | CYCLOHEXENE-3,6-DIYL COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT | JNC株式会社 (JP) | 2012-04-26 | — | — | WO | disclosed |
| WO-2010073969-A2 | POLYSILOXANE COMPOSITION AND METHOD FOR PRODUCING THE SAME | DOW CORNING TORAY CO., LTD. (JP) | 2010-07-01 | — | — | WO | disclosed |
| WO-2009057821-A1 | MICROPARTICLE OF METAL OR METAL OXIDE HAVING SILICON-CONTAINING ORGANIC GROUP, AND METHOD FOR PRODUCING THE SAME | DOW CORNING TORAY CO., LTD. (JP) | 2009-05-07 | — | — | WO | disclosed |
| WO-2009057817-A1 | POLYSILOXANE COMPOSITION AND METHOD FOR PRODUCING THE SAME | DOW CORNING TORAY CO., LTD. (JP) | 2009-05-07 | — | — | WO | disclosed |