⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL35552 | 0.98 | — | — | |
| SCHEMBL10392521 | 0.98 | — | — | |
| SCHEMBL9203723 | 0.98 | — | — | |
| SCHEMBL987090 | 0.98 | — | — | |
| SCHEMBL10893172 | 0.98 | — | — | |
| SCHEMBL7006923 | 0.98 | — | — | |
| SCHEMBL35517 | 0.98 | — | — | |
| SCHEMBL11797586 | 0.84 | — | — | |
| SCHEMBL11237918 | 0.81 | — | — | |
| SCHEMBL9488890 | 0.80 | CHRM2 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4325830-A | Three ring dioxane liquid crystalline compounds | TIMEX CORPORATION (US) | 1982-04-20 | — | — | US | disclosed |
| US-4323504-A | Cyclohexyl cyclohexyl dioxane liquid crystalline compounds and admixture containing same | TIMEX CORPORATION (US) | 1982-04-06 | — | — | US | disclosed |
| US-4323473-A | Cyclohexyl cyclohexyl dioxane liquid crystalline compounds and admixture containing same | TIMEX CORPORATION (US) | 1982-04-06 | — | — | US | disclosed |