⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12698835 | 0.60 | — | — | |
| SCHEMBL23101765 | 0.54 | — | — | |
| SCHEMBL11174652 | 0.54 | — | — | |
| SCHEMBL20414325 | 0.52 | — | — | |
| SCHEMBL21263449 | 0.48 | — | — | |
| SCHEMBL5089878 | 0.47 | — | — | |
| SCHEMBL8619911 | 0.42 | — | — | |
| P-Xylene SCHEMBL33600 | 0.42 | — | — | |
| Propene SCHEMBL4948068 | 0.41 | TSHR (0.33) | — | |
| Propene SCHEMBL8064619 | 0.41 | — | — |
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-2021250461-A1 | SUBSTITUTED ISOQUINOLINYLMETHYL AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME | ARBUTUS BIOPHARMA CORPORATION (CA) | 2021-12-16 | — | — | WO | disclosed |