⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL754276 | 0.88 | ESR1 (0.35) | — | |
| SCHEMBL753335 | 0.72 | CNR2 (0.38) | — | |
| SCHEMBL755446 | 0.72 | TEAD4 (0.42) | — | |
| SCHEMBL753088 | 0.72 | POLB (0.38) | — | |
| Isopropylamine SCHEMBL755786 | 0.71 | CNR2 (0.37) | — | |
| Dimethylamine SCHEMBL752802 | 0.71 | CNR2 (0.38) | — | |
| Methylamine SCHEMBL753441 | 0.71 | CNR2 (0.38) | — | |
| SCHEMBL753407 | 0.70 | HTT (0.49) | — | |
| SCHEMBL755559 | 0.70 | MMP3 (0.47) | — | |
| Ethylamine SCHEMBL753922 | 0.69 | CNR2 (0.37) | — |
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-1422218-B1 | ANTIVIRAL AGENT | SHIONOGI & CO (JP) | 2012-03-21 | — | — | EP | disclosed |