⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8065855 | 0.82 | FYN (0.43) | — | |
| SCHEMBL30095550 | 0.76 | — | — | |
| SCHEMBL22792329 | 0.76 | — | — | |
| SCHEMBL1794376 | 0.73 | — | — | |
| SCHEMBL15360302 | 0.73 | BRAF (0.37) | — | |
| SCHEMBL1830625 | 0.73 | — | — | |
| SCHEMBL4781903 | 0.71 | — | — | |
| SCHEMBL13159701 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL28433351 | 0.71 | BRAF (0.36) | — | |
| SCHEMBL12411078 | 0.68 | TRPM8 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020216350-A1 | QUINOLINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF | 中国人民解放军军事科学院军事医学研究院 | 2020-10-29 | — | — | WO | disclosed |
| EP-2401256-B1 | Compounds as bradykinin B1 antagonists | BOEHRINGER INGELHEIM INT (DE) | 2013-04-17 | — | — | EP | disclosed |