⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL707827 | 0.77 | — | — | |
| SCHEMBL705779 | 0.77 | ADRB2 (0.39) | — | |
| SCHEMBL11210371 | 0.73 | THRB (0.40) | — | |
| SCHEMBL11350247 | 0.73 | THRB (0.40) | — | |
| SCHEMBL28997895 | 0.71 | — | — | |
| SCHEMBL28753769 | 0.71 | — | — | |
| SCHEMBL3296283 | 0.71 | CYP3A4 (0.31) | — | |
| SCHEMBL5321508 | 0.70 | THRB (0.35) | — | |
| SCHEMBL14321215 | 0.70 | ADRB2 (0.38) | — | |
| SCHEMBL8851753 | 0.70 | TSHR (0.44) | — |
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-1799208-A2 | HETEROCYCLIC AROMATIC COMPOUNDS USEFUL AS GROWTH HORMONE SECRETAGOGUES | Brystol-Myers Squibb Company (US) | 2007-06-27 | — | — | EP | disclosed |
| WO-2006044359-A2 | HETEROCYCLIC AROMATIC COMPOUNDS USEFUL AS GROWTH HORMONE SECRETAGOGUES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2006-04-27 | — | — | WO | disclosed |