⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19876672 | 0.72 | ADRA1A (0.32) | — | |
| SCHEMBL26833418 | 0.67 | OPRD1 (0.31) | — | |
| SCHEMBL17621553 | 0.66 | MAP3K12 (0.32) | — | |
| SCHEMBL18071839 | 0.65 | ADRA1A (0.32) | — | |
| SCHEMBL11971013 | 0.63 | MAP3K14 (0.32) | — | |
| SCHEMBL18338532 | 0.62 | ADRA1A (0.33) | — | |
| SCHEMBL19788784 | 0.61 | MAP3K12 (0.33) | — | |
| SCHEMBL17616415 | 0.61 | — | — | |
| SCHEMBL17621506 | 0.59 | — | — | |
| Iodide SCHEMBL28920570 | 0.58 | LPO (0.40) | — |
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-2563123-B1 | NOVEL BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME (US) | 2018-04-25 | — | — | EP | disclosed |