⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6738749 | 0.93 | — | — | |
| SCHEMBL8560 | 0.73 | — | — | |
| SCHEMBL151215 | 0.70 | — | — | |
| SCHEMBL8461939 | 0.70 | TRIM24 (0.38) | — | |
| SCHEMBL6882297 | 0.70 | TRIM24 (0.38) | — | |
| SCHEMBL8461935 | 0.70 | TRIM24 (0.38) | — | |
| SCHEMBL8461479 | 0.70 | TRIM24 (0.38) | — | |
| SCHEMBL19178733 | 0.70 | TRIM24 (0.38) | — | |
| SCHEMBL20509292 | 0.70 | TRIM24 (0.38) | — | |
| SCHEMBL19178734 | 0.70 | TRIM24 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2265691-B1 | LIQUID CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2012-08-29 | — | — | EP | disclosed |
| WO-2009150963-A1 | PENTACYCLIC LIQUID CRYSTAL COMPOUND HAVING CYCLOHEXANE RING, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT | チッソ株式会社 (JP) | 2009-12-17 | — | — | WO | disclosed |
| US-6686509-B2 | Process for producing α, α-difluorocycloalkane compound | MITSUI CHEMICALS, INC. (JP) | 2004-02-03 | — | — | US | disclosed |
| US-20030078460-A1 | Process for producing alpha, alpha-difluorocycloalkane compound | MITSUI CHEMICALS, INC. (JP) | 2003-04-24 | — | — | US | disclosed |