⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16211022 | 0.73 | TSHR (0.33) | — | |
| SCHEMBL28003189 | 0.73 | TSHR (0.33) | — | |
| SCHEMBL26431210 | 0.71 | — | — | |
| SCHEMBL8074320 | 0.69 | SLC6A4 (0.31) | — | |
| SCHEMBL1269163 | 0.69 | — | — | |
| SCHEMBL8414737 | 0.65 | SLC6A3 (0.32) | — | |
| SCHEMBL8088472 | 0.65 | — | — | |
| SCHEMBL17055990 | 0.65 | — | — | |
| SCHEMBL528872 | 0.63 | TSHR (0.32) | — | |
| SCHEMBL14958143 | 0.63 | LMNA (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2597955-A1 | QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME | OncoTherapy Science, Inc. (JP) | 2013-06-05 | — | — | EP | claimed |
| WO-2012016082-A1 | QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME | ONCOTHERAPY SCIENCE, INC. (JP) | 2012-02-02 | — | — | WO | claimed |