⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4486431 | 0.76 | SIGMAR1 (0.33) | — | |
| SCHEMBL13464067 | 0.76 | — | — | |
| SCHEMBL13888366 | 0.71 | — | — | |
| SCHEMBL30349880 | 0.71 | — | — | |
| SCHEMBL30349661 | 0.70 | ADRA2A (0.31) | — | |
| SCHEMBL12445925 | 0.70 | MAPK1 (0.31) | — | |
| SCHEMBL30349774 | 0.69 | — | — | |
| SCHEMBL30349796 | 0.69 | — | — | |
| SCHEMBL16385093 | 0.68 | ALDH1A1 (0.31) | — | |
| SCHEMBL13983171 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-115867277-A | Novel fused heterocyclyl-carbohydrazone acyldinitrile compounds and use thereof | 韩国科学技术研究院 | 2023-03-28 | — | — | CN | disclosed |
| WO-2010025872-A2 | ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL | UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) | 2010-03-11 | — | — | WO | disclosed |