⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL139887 | 0.96 | — | — | |
| SCHEMBL28808917 | 0.96 | FDPS (0.43) | — | |
| SCHEMBL27981964 | 0.92 | — | — | |
| Ammonia Solution, Strong SCHEMBL27514834 | 0.92 | — | — | |
| SCHEMBL8492465 | 0.92 | — | — | |
| Alcohol SCHEMBL855392 | 0.89 | ALDH1A1 (0.43) | — | |
| Methylamine SCHEMBL8607154 | 0.89 | — | — | |
| Ethylene SCHEMBL28123588 | 0.86 | FDPS (0.38) | — | |
| Propanol SCHEMBL854933 | 0.86 | FDPS (0.38) | — | |
| Acetic Acid SCHEMBL27624779 | 0.81 | FFAR3 (0.41) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101665411-B | Alcohol-lead compound, preparation method thereof and application thereof | INST PROCESS ENG CAS | 2014-07-30 | — | — | CN | claimed |
| CN-101665411-A | Alcohol-lead compound, preparation method thereof and application thereof | INST PROCESS ENG CAS | 2010-03-10 | — | — | CN | claimed |
| CN-101665411-B | Alcohol-lead compound, preparation method thereof and application thereof | INST PROCESS ENG CAS | 2014-07-30 | — | — | CN | disclosed |
| CN-101665411-A | Alcohol-lead compound, preparation method thereof and application thereof | INST PROCESS ENG CAS | 2010-03-10 | — | — | CN | disclosed |