⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL571876 | 0.70 | — | — | |
| SCHEMBL23495476 | 0.65 | CYP2D6 (0.32) | — | |
| SCHEMBL3566942 | 0.63 | — | — | |
| SCHEMBL12848309 | 0.63 | — | — | |
| SCHEMBL3789192 | 0.63 | CYP2D6 (0.37) | — | |
| SCHEMBL6036749 | 0.61 | — | — | |
| Hydrochloric Acid SCHEMBL16335084 | 0.61 | CYP2D6 (0.35) | — | |
| SCHEMBL1338815 | 0.61 | — | — | |
| SCHEMBL25967494 | 0.61 | — | — | |
| SCHEMBL31256074 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4990505-A | Treating asthma, bronchitis; adrenergic stimulants | GLAXO GROUP LIMITED (GB) | 1991-02-05 | — | — | US | disclosed |