⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20104019 | 0.70 | LIPE (0.32) | — | |
| SCHEMBL20104126 | 0.66 | DDR1 (0.32) | — | |
| SCHEMBL20103946 | 0.66 | — | — | |
| SCHEMBL20103943 | 0.66 | LIPE (0.34) | — | |
| SCHEMBL20104063 | 0.57 | NAMPT (0.32) | — | |
| SCHEMBL20104120 | 0.55 | SLC6A2 (0.33) | — | |
| SCHEMBL23517238 | 0.55 | ADRB2 (0.34) | — | |
| SCHEMBL20247365 | 0.54 | CYP11B2 (0.32) | — | |
| SCHEMBL6971898 | 0.54 | CYP3A4 (0.38) | — | |
| SCHEMBL1286681 | 0.54 | USP7 (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3110810-B1 | PYRAZOLE AMIDE DERIVATIVE | TEIJIN PHARMA LTD (JP) | 2018-05-02 | — | — | EP | disclosed |
| US-20160024216-A1 | USE OF EGFR BIOMARKERS FOR THE TREATMENT OF GASTRIC CANCER WITH ANTI-EGFR AGENTS | CROWN BIOSCIENCE, INC. (TAICANG) (CN) | 2016-01-28 | — | — | US | disclosed |