⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13494257 | 0.72 | — | — | |
| SCHEMBL24425971 | 0.72 | — | — | |
| SCHEMBL765119 | 0.70 | — | — | |
| SCHEMBL21777082 | 0.70 | — | — | |
| SCHEMBL14874135 | 0.67 | — | — | |
| SCHEMBL13259322 | 0.65 | — | — | |
| SCHEMBL16136520 | 0.65 | — | — | |
| SCHEMBL18736941 | 0.65 | — | — | |
| SCHEMBL21668669 | 0.63 | ALDH1A1 (0.44) | — | |
| SCHEMBL14646699 | 0.61 | — | — |
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-108929280-A | Pyrazine derivative and its preparation method and pharmaceutical composition and purposes | 中国医学科学院药物研究所 | 2018-12-04 | — | — | CN | disclosed |
| EP-1777218-B1 | Process for the preparation of 4-phenoxy quinoline derivatives | EISAI R&D MAN CO LTD (JP) | 2008-12-31 | — | — | EP | disclosed |