⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2463783 | 0.76 | FLT1 (0.32) | — | |
| SCHEMBL2461274 | 0.75 | TUBB4A (0.36) | — | |
| SCHEMBL2584834 | 0.66 | HTR1A (0.38) | — | |
| SCHEMBL2465480 | 0.65 | BCL9 (0.40) | — | |
| SCHEMBL2575582 | 0.60 | ABCB1 (0.33) | — | |
| SCHEMBL2585716 | 0.60 | TUBB4A (0.33) | — | |
| SCHEMBL7913409 | 0.60 | PARP1 (0.32) | — | |
| SCHEMBL7910808 | 0.59 | KDM4E (0.34) | — | |
| SCHEMBL2584737 | 0.56 | BRD4 (0.34) | — | |
| SCHEMBL9621241 | 0.54 | HSD17B1 (0.45) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010064735-A1 | QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2010-06-10 | — | — | WO | disclosed |