⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22308432 | 0.81 | MMP9 (0.30) | — | |
| SCHEMBL271120 | 0.75 | TSHR (0.32) | — | |
| SCHEMBL271726 | 0.75 | TAS2R38 (0.32) | — | |
| SCHEMBL19830876 | 0.74 | — | — | |
| SCHEMBL22641819 | 0.74 | — | — | |
| SCHEMBL7540221 | 0.74 | — | — | |
| SCHEMBL19830885 | 0.73 | MAOB (0.30) | — | |
| SCHEMBL20434060 | 0.71 | — | — | |
| SCHEMBL19936136 | 0.69 | TSHR (0.32) | — | |
| SCHEMBL13453353 | 0.69 | — | — |
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-2018019297-A1 | ISOQUINOLINONE COMPOUND AND USE THEREOF IN PREPARATION OF ANTIVIRAL DRUGS | 银杏树药业(苏州)有限公司 | 2018-02-01 | — | — | WO | disclosed |