⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20673858 | 0.78 | — | — | |
| SCHEMBL20674095 | 0.70 | — | — | |
| SCHEMBL20673871 | 0.59 | GAA (0.31) | — | |
| SCHEMBL20631706 | 0.57 | GAA (0.33) | — | |
| SCHEMBL20673863 | 0.57 | CYP1A2 (0.32) | — | |
| SCHEMBL21958538 | 0.56 | — | — | |
| SCHEMBL21959653 | 0.55 | — | — | |
| SCHEMBL20674507 | 0.53 | ELANE (0.38) | — | |
| SCHEMBL16969359 | 0.51 | — | — | |
| SCHEMBL21306238 | 0.46 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20200131176-A1 | SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE | CS PHARMATECH LIMITED (KY) | 2020-04-30 | — | — | US | disclosed |