⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16091368 | 0.73 | — | — | |
| SCHEMBL12015993 | 0.71 | — | — | |
| SCHEMBL31867 | 0.60 | — | — | |
| SCHEMBL13771846 | 0.57 | — | — | |
| SCHEMBL31774 | 0.55 | — | — | |
| SCHEMBL13464717 | 0.55 | — | — | |
| SCHEMBL4207508 | 0.55 | — | — | |
| SCHEMBL4207509 | 0.55 | — | — | |
| SCHEMBL16774940 | 0.55 | — | — | |
| SCHEMBL18675982 | 0.53 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3400220-B1 | PYRAZOLE DERIVATIVES | HUA MEDICINE SHANGHAI LTD (CN) | 2021-03-24 | — | — | EP | disclosed |