⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1373520 | 0.82 | NPY4R (0.36) | — | |
| SCHEMBL18098224 | 0.82 | NPY4R (0.36) | — | |
| SCHEMBL16260138 | 0.69 | MEN1 (0.39) | — | |
| SCHEMBL18841452 | 0.68 | GAA (0.31) | — | |
| SCHEMBL13459459 | 0.67 | SIGMAR1 (0.33) | — | |
| SCHEMBL11980626 | 0.67 | MEN1 (0.40) | — | |
| SCHEMBL27632265 | 0.67 | SMN1; SMN2 (0.45) | — | |
| Arginine SCHEMBL15110976 | 0.67 | OTC (0.39) | — | |
| SCHEMBL7935092 | 0.65 | MEN1 (0.44) | — | |
| SCHEMBL1345737 | 0.64 | EPHX2 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20110288111-A1 | INHIBITION OF INFLUENZA M2 PROTON CHANNEL | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 2011-11-24 | — | — | US | disclosed |