⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7776630 | 0.80 | GABRR1 (0.34) | — | |
| SCHEMBL1247692 | 0.79 | — | — | |
| SCHEMBL8084410 | 0.76 | — | — | |
| SCHEMBL9326329 | 0.76 | — | — | |
| Hydroxyamine SCHEMBL28342628 | 0.75 | TSHR (0.37) | — | |
| SCHEMBL11852407 | 0.72 | — | — | |
| SCHEMBL7769470 | 0.72 | — | — | |
| SCHEMBL6691743 | 0.72 | HDAC7 (0.39) | — | |
| SCHEMBL1425006 | 0.71 | — | — | |
| SCHEMBL438321 | 0.71 | — | — |
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 |