⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1003884 | 0.76 | — | — | |
| SCHEMBL1003883 | 0.76 | — | — | |
| SCHEMBL18689425 | 0.71 | — | — | |
| SCHEMBL5792716 | 0.71 | — | — | |
| SCHEMBL19736143 | 0.69 | TSHR (0.31) | — | |
| SCHEMBL28774138 | 0.69 | — | — | |
| SCHEMBL2816610 | 0.69 | — | — | |
| SCHEMBL19577846 | 0.69 | — | — | |
| SCHEMBL4959866 | 0.69 | — | — | |
| SCHEMBL9009043 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117945844-A | Third monomer for EVA synthesis, modified EVA and application of modified EVA in EVOH synthesis | 中国科学院长春应用化学研究所 | 2024-04-30 | — | — | CN | disclosed |
| US-20120041193-A1 | SUBSTITUTED INTERNAL VINYL-BORONIC ACIDS AND BORONIC ACID DERIVATIVES | FRONTIER SCIENTIFIC, INC. (US) | 2012-02-16 | — | — | US | disclosed |