⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9013867 | 1.00 | — | — | |
| SCHEMBL7912246 | 0.89 | SIGMAR1 (0.34) | — | |
| SCHEMBL7912234 | 0.89 | SIGMAR1 (0.34) | — | |
| SCHEMBL9556271 | 0.85 | — | — | |
| SCHEMBL9556273 | 0.85 | — | — | |
| SCHEMBL11658810 | 0.82 | — | — | |
| SCHEMBL10888364 | 0.79 | NOS3 (0.33) | — | |
| SCHEMBL10888358 | 0.79 | NOS3 (0.33) | — | |
| SCHEMBL10614562 | 0.78 | CYP1A2 (0.43) | — | |
| SCHEMBL10614556 | 0.78 | CYP1A2 (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0568040-B1 | Cyclohexane derivative and liquid crystal composition containing the same | CHISSO CORP (JP) | 1996-12-04 | — | — | EP | disclosed |
| US-5468421-A | Cyclohexane derivative and liquid crystal composition containing the same | CHISSO CORPORATION (JP) | 1995-11-21 | — | — | US | disclosed |
| EP-0568040-A1 | Cyclohexane derivative and liquid crystal composition containing the same | CHISSO CORPORATION (JP) | 1993-11-03 | — | — | EP | disclosed |