⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20548621 | 0.92 | CYP2C19 (0.31) | — | |
| SCHEMBL20609221 | 0.83 | — | — | |
| SCHEMBL5984188 | 0.80 | — | — | |
| SCHEMBL17971805 | 0.79 | — | — | |
| SCHEMBL24929114 | 0.77 | — | — | |
| SCHEMBL20886818 | 0.77 | — | — | |
| SCHEMBL6901353 | 0.77 | — | — | |
| SCHEMBL8051944 | 0.77 | — | — | |
| SCHEMBL23122697 | 0.73 | MAOB (0.35) | — | |
| SCHEMBL8055193 | 0.73 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11999699-B2 | Substituted pyrazole amides | Grünenthal GmbH (DE) | 2024-06-04 | — | — | US | disclosed |
| US-20230025025-A1 | SUBSTITUTED PYRAZOLE AMIDES | GRUENENTHAL GMBH (DE) | 2023-01-26 | — | — | US | disclosed |