⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24050459 | 0.76 | — | — | |
| SCHEMBL21676397 | 0.74 | CA12 (0.37) | — | |
| SCHEMBL27390965 | 0.72 | CA1 (0.34) | — | |
| SCHEMBL15857625 | 0.71 | — | — | |
| SCHEMBL20440487 | 0.70 | — | — | |
| SCHEMBL20440480 | 0.68 | — | — | |
| SCHEMBL20440331 | 0.68 | — | — | |
| SCHEMBL11890378 | 0.67 | PKM (0.44) | — | |
| SCHEMBL22567207 | 0.67 | — | — | |
| SCHEMBL22778573 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018139876-A1 | NOVEL [1,2,4]TRIAZOLO[4, 3-A]QUINOXALINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING BET PROTEIN-RELATED DISEASES, CONTAINING SAME AS ACTIVE INGREDIENT | 동화약품주식회사 | 2018-08-02 | — | — | WO | disclosed |