⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25837613 | 0.80 | KDM4E (0.32) | — | |
| SCHEMBL20808613 | 0.78 | CA1 (0.35) | — | |
| SCHEMBL14744058 | 0.78 | TP53 (0.35) | — | |
| SCHEMBL23564478 | 0.74 | KAT5 (0.33) | — | |
| SCHEMBL24129384 | 0.74 | — | — | |
| SCHEMBL13154410 | 0.73 | KAT5 (0.34) | — | |
| SCHEMBL17278079 | 0.72 | — | — | |
| SCHEMBL12945401 | 0.69 | CYP3A4 (0.35) | — | |
| SCHEMBL8426336 | 0.68 | ALDH1A1 (0.40) | — | |
| SCHEMBL15014638 | 0.67 | TP53 (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2760840-B1 | QUINOLINONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE | BRISTOL MYERS SQUIBB CO (US) | 2015-08-12 | — | — | EP | disclosed |