⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6682987 | 0.81 | — | — | |
| SCHEMBL28628348 | 0.75 | — | — | |
| SCHEMBL30341131 | 0.67 | — | — | |
| SCHEMBL3628543 | 0.67 | — | — | |
| SCHEMBL10441435 | 0.66 | — | — | |
| SCHEMBL6685712 | 0.66 | THRA (0.32) | — | |
| SCHEMBL30096510 | 0.63 | — | — | |
| SCHEMBL11812849 | 0.63 | — | — | |
| SCHEMBL5354811 | 0.62 | — | — | |
| SCHEMBL28601121 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1675821-A1 | PHENETANOLAMINE DERIVATIVES | GLAXO GROUP LIMITED (GB) | 2006-07-05 | — | — | EP | disclosed |
| WO-2005044787-A1 | PHENETANOLAMINE DERIVATIVES | GLAXO GROUP LIMITED (GB) | 2005-05-19 | — | — | WO | disclosed |