⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9622057 | 0.74 | DBH (0.51) | — | |
| SCHEMBL9621820 | 0.69 | DBH (0.54) | — | |
| SCHEMBL9622071 | 0.66 | CYP1A2 (0.51) | — | |
| SCHEMBL10593660 | 0.64 | ALDH1A1 (0.50) | — | |
| SCHEMBL9400818 | 0.63 | DBH (0.44) | — | |
| SCHEMBL9836342 | 0.63 | RAB9A (0.48) | — | |
| SCHEMBL9838171 | 0.63 | HPGD (0.37) | — | |
| SCHEMBL10618829 | 0.63 | — | — | |
| SCHEMBL10618793 | 0.62 | HPGD (0.36) | — | |
| SCHEMBL10593221 | 0.62 | LPO (0.58) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0285356-A2 | Dopamine-beta-hydroxylase inhibitors | SMITHKLINE BEECHAM CORPORATION (US) | 1988-10-05 | — | — | EP | disclosed |