⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19871862 | 0.91 | — | — | |
| SCHEMBL20099250 | 0.84 | — | — | |
| SCHEMBL25466905 | 0.82 | — | — | |
| SCHEMBL22692680 | 0.81 | — | — | |
| SCHEMBL23136552 | 0.79 | HCRTR2 (0.32) | — | |
| SCHEMBL20099270 | 0.77 | — | — | |
| SCHEMBL16248511 | 0.76 | DPP4 (0.32) | — | |
| SCHEMBL24012450 | 0.74 | — | — | |
| SCHEMBL21155008 | 0.74 | CHRNB2 (0.32) | — | |
| SCHEMBL20016484 | 0.74 | DPP4 (0.38) | — |
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-20210277401-A1 | Compositions and Methods for Modulating PKK Expression | IONIS PHARMACEUTICALS, INC. (US) | 2021-09-09 | — | — | US | disclosed |