Known targets — ChEMBL curated mechanism
ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG
The experimentally established mechanism targets of Cyclohexane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ 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 | |
|---|---|---|---|---|
| Cyclopropane SCHEMBL1169924 | 0.93 | — | — | |
| Cyclopentane SCHEMBL3380515 | 0.93 | — | — | |
| Cycloheptane SCHEMBL4390137 | 0.93 | — | — | |
| Cyclopropane SCHEMBL27603415 | 0.93 | — | — | |
| Methylamine SCHEMBL27884110 | 0.93 | — | — | |
| Cyclohexane SCHEMBL50022 | 0.93 | — | — | |
| Methylamine SCHEMBL15327586 | 0.93 | — | — | |
| Methylamine SCHEMBL4254577 | 0.93 | — | — | |
| Cyclohexane SCHEMBL726714 | 0.93 | — | — | |
| Cyclopropane SCHEMBL4162108 | 0.86 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113471366-A | Preparation method of 2D/3D perovskite solar cell based on cyclohexylmethylamine iodide salt | 华侨大学 | 2021-10-01 | — | — | CN | disclosed |