⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28177248 | 0.77 | CA1 (0.34) | — | |
| SCHEMBL10531951 | 0.76 | — | — | |
| SCHEMBL23714918 | 0.75 | — | — | |
| SCHEMBL8771337 | 0.75 | — | — | |
| SCHEMBL5490414 | 0.75 | — | — | |
| SCHEMBL6860113 | 0.75 | — | — | |
| SCHEMBL8556549 | 0.75 | L3MBTL1 (0.59) | — | |
| SCHEMBL7127672 | 0.73 | GAA (0.42) | — | |
| SCHEMBL2448139 | 0.72 | SCD (0.39) | — | |
| SCHEMBL2441700 | 0.72 | ATAD2 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6355805-B1 | MULTIBINDING COMPOUNDS USEFUL IN TREATMENT AND PREVENTION OF METABOLIC DISORDERS SUCH AS OBESITY AND DIABETES | ADVANCED MEDICINE, INC. | 2002-03-12 | — | — | US | disclosed |
| EP-1085894-A1 | BETA 3-ADRENERGIC RECEPTOR AGONISTS | Advanced Medicine, Inc. (US) | 2001-03-28 | — | — | EP | disclosed |
| WO-1999064053-A1 | β3-ADRENERGIC RECEPTOR AGONISTS | ADVANCED MEDICINE, INC. (US) | 1999-12-16 | — | — | WO | disclosed |