⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12474161 | 0.89 | — | — | |
| SCHEMBL12474156 | 0.81 | — | — | |
| SCHEMBL12143997 | 0.77 | ALDH1A1 (0.32) | — | |
| SCHEMBL14036987 | 0.77 | — | — | |
| SCHEMBL16366770 | 0.77 | ALDH1A1 (0.35) | — | |
| SCHEMBL14969030 | 0.76 | — | — | |
| SCHEMBL13896190 | 0.76 | CYP4F2 (0.32) | — | |
| SCHEMBL14140319 | 0.74 | — | — | |
| SCHEMBL7961127 | 0.74 | ALDH1A1 (0.39) | — | |
| SCHEMBL13369384 | 0.74 | — | — |
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-2316456-A1 | Compositions for affecting weight loss comprising naltrexone and bupropion | Orexigen Therapeutics, Inc. (US) | 2011-05-04 | — | — | EP | disclosed |