⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15314474 | 0.79 | — | — | |
| SCHEMBL15797217 | 0.73 | — | — | |
| SCHEMBL17243657 | 0.73 | — | — | |
| SCHEMBL13981305 | 0.72 | — | — | |
| SCHEMBL20860751 | 0.72 | — | — | |
| SCHEMBL13563637 | 0.71 | — | — | |
| SCHEMBL18772784 | 0.69 | — | — | |
| SCHEMBL473678 | 0.69 | — | — | |
| SCHEMBL13348722 | 0.69 | — | — | |
| SCHEMBL8260448 | 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-2020135210-A1 | SUBSTITUTED ARYL COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF | 四川科伦博泰生物医药股份有限公司 | 2020-07-02 | — | — | WO | disclosed |