⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1937606 | 0.92 | — | — | |
| SCHEMBL14303933 | 0.81 | — | — | |
| SCHEMBL14138306 | 0.76 | TRPA1 (0.31) | — | |
| SCHEMBL12992789 | 0.76 | — | — | |
| SCHEMBL136606 | 0.74 | — | — | |
| SCHEMBL29263238 | 0.74 | MAOB (0.50) | — | |
| SCHEMBL30802546 | 0.73 | — | — | |
| SCHEMBL21436416 | 0.71 | — | — | |
| SCHEMBL9116921 | 0.71 | — | — | |
| SCHEMBL16838899 | 0.71 | — | — |
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-2021133613-A1 | PROCESS FOR THE PRODUCTION OF POLYMER COMPOSITIONS WITH EXCELLENT PROCESSABILITY | DOW GLOBAL TECHNOLOGIES LLC (US) | 2021-07-01 | — | — | WO | disclosed |