⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL80294 | 0.76 | — | — | |
| SCHEMBL4949912 | 0.76 | — | — | |
| SCHEMBL7511657 | 0.74 | — | — | |
| SCHEMBL11590019 | 0.74 | — | — | |
| SCHEMBL12957667 | 0.72 | CRBN (0.37) | — | |
| SCHEMBL12745049 | 0.72 | — | — | |
| SCHEMBL37237 | 0.71 | — | — | |
| Water SCHEMBL14931409 | 0.69 | — | — | |
| SCHEMBL7511249 | 0.69 | — | — | |
| SCHEMBL4376109 | 0.69 | — | — |
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-2010000008-A1 | THIOSEMICARBAZONE COMPOUNDS AND USE THEREOF | RICHARDSON DESI RAYMOND (AU) | 2010-01-07 | — | — | WO | disclosed |