⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL653830 | 0.85 | CYP11B1 (0.33) | — | |
| SCHEMBL8131036 | 0.74 | DAGLA (0.32) | — | |
| SCHEMBL1121836 | 0.72 | NOTUM (0.35) | — | |
| SCHEMBL18982574 | 0.70 | NOTUM (0.34) | — | |
| SCHEMBL752388 | 0.70 | POLB (0.33) | — | |
| SCHEMBL5603377 | 0.69 | TRPV1 (0.42) | — | |
| SCHEMBL30343520 | 0.68 | POLB (0.32) | — | |
| SCHEMBL12327489 | 0.68 | DAGLA (0.35) | — | |
| SCHEMBL6046474 | 0.67 | KDM4E (0.35) | — | |
| SCHEMBL22832703 | 0.67 | IDO1 (0.36) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1998009625-A1 | SELECTIVE β3 ADRENERGIC AGONISTS | ELI LILLY AND COMPANY (US) | 1998-03-12 | — | — | WO | disclosed |
| WO-1997010825-A1 | SELECTIVE β3 ADRENERGIC AGONISTS | ELI LILLY AND COMPANY (US) | 1997-03-27 | — | — | WO | disclosed |
| EP-0764640-A1 | Selective beta3 adrenergic agonists | ELI LILLY AND COMPANY (US) | 1997-03-26 | — | — | EP | disclosed |