Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Propanol. 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 | |
|---|---|---|---|---|
| Propanol SCHEMBL5573890 | 0.97 | — | — | |
| Propanol SCHEMBL8445727 | 0.94 | CA5A (0.50) | — | |
| Propanol SCHEMBL1484579 | 0.88 | — | — | |
| Nitric Acid SCHEMBL28394269 | 0.87 | CA5A (0.57) | — | |
| Propanol SCHEMBL23711832 | 0.84 | — | — | |
| Propanol SCHEMBL27705008 | 0.84 | ALDH1A1 (0.45) | — | |
| Propanol SCHEMBL28970874 | 0.84 | ALDH1A1 (0.45) | — | |
| Nitric Acid SCHEMBL28131817 | 0.84 | CA5A (0.53) | — | |
| Propanol SCHEMBL28826965 | 0.84 | ALDH1A1 (0.45) | — | |
| Propanol SCHEMBL27889247 | 0.84 | ALDH1A1 (0.45) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2003039741-A1 | MIXED OXIDE SOLID SOLUTIONS | CATALYTICA ENERGY SYSTEMS, INC. (US) | 2003-05-15 | — | — | WO | disclosed |
| US-6521566-B1 | Mixed oxide solid solutions | CATALYTICA ENERGY SYSTEMS, INC. | 2003-02-18 | — | — | US | disclosed |