Known targets — ChEMBL curated mechanism
ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG
The experimentally established mechanism targets of Propane. 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 | |
|---|---|---|---|---|
| Propane SCHEMBL198418 | 0.91 | — | — | |
| Propane SCHEMBL27278458 | 0.91 | — | — | |
| Propane SCHEMBL11861400 | 0.91 | — | — | |
| Propane SCHEMBL107205 | 0.91 | — | — | |
| Propane SCHEMBL28071211 | 0.91 | — | — | |
| Propane SCHEMBL6948014 | 0.91 | — | — | |
| Propane SCHEMBL11040682 | 0.83 | ALDH1A1 (0.33) | — | |
| Propane SCHEMBL19180052 | 0.83 | — | — | |
| Propane SCHEMBL27589715 | 0.83 | — | — | |
| Propane SCHEMBL27845802 | 0.83 | — | — |
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-111363820-B | Application of COPZ1 as brain glioma treatment/prognosis judgment target | 山东大学齐鲁医院 | 2022-07-29 | — | — | CN | disclosed |