⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2573358 | 0.87 | PTGDR2 (0.43) | — | |
| SCHEMBL2672760 | 0.83 | PTGDR2 (0.36) | — | |
| SCHEMBL2580083 | 0.83 | GPR4 (0.32) | — | |
| SCHEMBL2574521 | 0.82 | USP1 (0.32) | — | |
| SCHEMBL2579246 | 0.79 | PTGDR2 (0.34) | — | |
| SCHEMBL2573766 | 0.78 | PTGDR2 (0.52) | — | |
| SCHEMBL533987 | 0.77 | AR (0.36) | — | |
| SCHEMBL2575500 | 0.77 | KCNH2 (0.36) | — | |
| SCHEMBL2569955 | 0.75 | PTGDR2 (0.44) | — | |
| SCHEMBL3667686 | 0.75 | PTGDR2 (0.53) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2139881-B1 | QUINOLINES AND THEIR THERAPEUTIC USE | PULMAGEN THERAPEUTICS ASTHMA LTD (GB) | 2011-11-09 | — | — | EP | claimed |
| EP-2139881-A1 | QUINOLINES AND THEIR THERAPEUTIC USE | Argenta Oral Therapeutics Limited (GB) | 2010-01-06 | — | — | EP | disclosed |
| WO-2008122784-A1 | QUINOLINES AND THEIR THERAPEUTIC USE | ARGENTA DISCOVERY LIMITED (GB) | 2008-10-16 | — | — | WO | disclosed |