⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6889147 | 0.80 | IDO1 (0.30) | — | |
| SCHEMBL19337431 | 0.74 | SLC7A5 (0.40) | — | |
| SCHEMBL20052961 | 0.71 | — | — | |
| SCHEMBL17012115 | 0.66 | — | — | |
| SCHEMBL24587484 | 0.65 | — | — | |
| SCHEMBL14908378 | 0.65 | — | — | |
| SCHEMBL14730573 | 0.64 | — | — | |
| SCHEMBL12363321 | 0.64 | — | — | |
| SCHEMBL16068371 | 0.64 | — | — | |
| SCHEMBL14446381 | 0.63 | POLB (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011045232-A2 | NEUROPEPTIDE-2 RECEPTOR (Y-2R) AGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-04-21 | — | — | WO | disclosed |