⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23544293 | 0.83 | — | — | |
| SCHEMBL23544283 | 0.81 | — | — | |
| SCHEMBL23544296 | 0.62 | — | — | |
| SCHEMBL23544263 | 0.59 | — | — | |
| SCHEMBL7534055 | 0.47 | — | — | |
| SCHEMBL21338801 | 0.39 | — | — | |
| SCHEMBL3147031 | 0.36 | — | — | |
| SCHEMBL7520366 | 0.36 | — | — | |
| SCHEMBL2575408 | 0.26 | — | — | |
| SCHEMBL2266230 | 0.26 | — | — |
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-2123695-B1 | METAL THIETANE COMPOUND, POLYMERIZABLE COMPOSITION COMPRISING THE COMPOUND, RESIN, AND USE OF THE RESIN | MITSUI CHEMICALS INC (JP) | 2021-06-23 | — | — | EP | disclosed |