⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9466491 | 0.85 | EPHX1 (0.48) | — | |
| SCHEMBL17956807 | 0.78 | EPHX1 (0.60) | — | |
| SCHEMBL8061667 | 0.75 | EPHX1 (0.58) | — | |
| SCHEMBL8172017 | 0.75 | — | — | |
| SCHEMBL454450 | 0.71 | — | — | |
| SCHEMBL6935602 | 0.71 | — | — | |
| SCHEMBL17956763 | 0.71 | GRIN2D (0.42) | — | |
| SCHEMBL9290794 | 0.71 | — | — | |
| SCHEMBL19741324 | 0.70 | ACHE (0.42) | — | |
| SCHEMBL9868852 | 0.70 | EPHX1 (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-104177288-A | Selenosemicarbazone derivative, and pharmaceutical composition and application thereof | INST PHARM & TOXICOLOGY AMMS | 2014-12-03 | — | — | CN | disclosed |