⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23536522 | 1.00 | — | — | |
| SCHEMBL2582264 | 0.92 | HCRTR2 (0.33) | — | |
| SCHEMBL22371588 | 0.92 | HCRTR2 (0.33) | — | |
| SCHEMBL22371501 | 0.92 | HCRTR2 (0.33) | — | |
| SCHEMBL345456 | 0.86 | KDM4E (0.30) | — | |
| SCHEMBL345455 | 0.86 | KDM4E (0.30) | — | |
| SCHEMBL18940734 | 0.85 | — | — | |
| SCHEMBL14994148 | 0.81 | CYP2D6 (0.40) | — | |
| SCHEMBL14994147 | 0.81 | CYP2D6 (0.40) | — | |
| SCHEMBL16931026 | 0.79 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-114075168-A | Pyrazole derivative and application thereof in medicine | 海思科医药集团股份有限公司 | 2022-02-22 | — | — | CN | disclosed |