⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8155454 | 0.79 | LTA4H (0.43) | — | |
| SCHEMBL9063094 | 0.79 | LTA4H (0.30) | — | |
| SCHEMBL61732 | 0.78 | LTA4H (0.57) | — | |
| SCHEMBL9450784 | 0.76 | LTA4H (0.42) | — | |
| SCHEMBL28072263 | 0.76 | LTA4H (0.55) | — | |
| SCHEMBL6154322 | 0.76 | LTA4H (0.59) | — | |
| SCHEMBL1404375 | 0.75 | — | — | |
| SCHEMBL2186348 | 0.75 | — | — | |
| SCHEMBL6000054 | 0.75 | — | — | |
| SCHEMBL2699 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5654309-A | KIDNEY, CARDIOVASCULAR AND RESPIRATORY SYSTEM DISORDERS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1997-08-05 | — | — | US | disclosed |