⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13244102 | 0.78 | — | — | |
| SCHEMBL13244091 | 0.75 | — | — | |
| SCHEMBL13879691 | 0.73 | — | — | |
| SCHEMBL13879789 | 0.73 | — | — | |
| SCHEMBL13879705 | 0.73 | — | — | |
| SCHEMBL460791 | 0.66 | ITGB3 (0.30) | — | |
| SCHEMBL18457871 | 0.64 | BRD4 (0.30) | — | |
| SCHEMBL21472189 | 0.63 | SLC6A2 (0.32) | — | |
| SCHEMBL5894307 | 0.62 | — | — | |
| SCHEMBL20824808 | 0.61 | RAB9A (0.30) | — |
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-2050734-A1 | PENTADIENAMIDE DERIVATIVE | Kyowa Hakko Kirin Co., Ltd. (JP) | 2009-04-22 | — | — | EP | disclosed |