⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL252653 | 0.80 | TSHR (0.43) | — | |
| SCHEMBL8621634 | 0.79 | TSHR (0.32) | — | |
| SCHEMBL2692355 | 0.79 | — | — | |
| SCHEMBL5505075 | 0.79 | — | — | |
| Ammonia Solution, Strong SCHEMBL27777444 | 0.78 | CTSK (0.32) | — | |
| Hydrogen Sulfide SCHEMBL28851311 | 0.78 | TSHR (0.42) | — | |
| SCHEMBL6612206 | 0.78 | TSHR (0.33) | — | |
| SCHEMBL28390679 | 0.78 | TSHR (0.39) | — | |
| SCHEMBL19614797 | 0.77 | — | — | |
| SCHEMBL666917 | 0.77 | TSHR (0.40) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2619232-A1 | CONTINUOUS FLOW POLYMERISATION PROCESS | Commonwealth Scientific and Industrial Research Organisation (AU) | 2013-07-31 | — | — | EP | disclosed |
| WO-2012037596-A1 | CONTINUOUS FLOW POLYMERISATION PROCESS | COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) | 2012-03-29 | — | — | WO | disclosed |