⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10422177 | 0.82 | — | — | |
| SCHEMBL4352 | 0.78 | — | — | |
| SCHEMBL15658212 | 0.78 | ALDH1A1 (1.00) | — | |
| SCHEMBL1319 | 0.78 | — | — | |
| SCHEMBL7767498 | 0.76 | ALDH1A1 (0.42) | — | |
| Isopropyl Alcohol SCHEMBL18258923 | 0.76 | — | — | |
| SCHEMBL11741937 | 0.76 | — | — | |
| SCHEMBL10692593 | 0.74 | ALDH1A1 (0.67) | — | |
| SCHEMBL9298136 | 0.74 | ALDH1A1 (0.67) | — | |
| SCHEMBL9407011 | 0.72 | ALDH1A1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011154678-A1 | COMPOUNDS | ASTRAZENECA AB (SE) | 2011-12-15 | — | — | WO | disclosed |
| WO-2011048409-A1 | CYCLIC AMINE DERIVATIVES HAVING BETA2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY | ASTRAZENECA AB (SE) | 2011-04-28 | — | — | WO | disclosed |