⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2638316 | 0.80 | — | — | |
| SCHEMBL5405506 | 0.76 | — | — | |
| SCHEMBL9414406 | 0.72 | — | — | |
| SCHEMBL6595867 | 0.71 | — | — | |
| SCHEMBL3229134 | 0.69 | — | — | |
| SCHEMBL21727837 | 0.69 | TRPV1 (0.38) | — | |
| SCHEMBL9184898 | 0.69 | TRPV1 (0.38) | — | |
| SCHEMBL121258 | 0.69 | — | — | |
| SCHEMBL22165982 | 0.67 | — | — | |
| Ammonia Solution, Strong SCHEMBL15539712 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4797498-A | Flavonoxypropanolamines and esters of flavonoxypropanolamines as antiarrhythmic agents | PENNWALT CORPORATION (US) | 1989-01-10 | — | — | US | disclosed |
| US-3949088-A | Substituted phenoxy propanol amines used for treating cardiovascular diseases | SAMUELSSON BENNY ROGER | 1976-04-06 | — | — | US | disclosed |