⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7937978 | 0.94 | — | — | |
| SCHEMBL1030391 | 0.86 | — | — | |
| SCHEMBL14650829 | 0.76 | — | — | |
| SCHEMBL17561639 | 0.73 | — | — | |
| SCHEMBL17466664 | 0.73 | — | — | |
| SCHEMBL12857589 | 0.73 | — | — | |
| SCHEMBL17466669 | 0.73 | — | — | |
| SCHEMBL12857452 | 0.73 | — | — | |
| SCHEMBL16357276 | 0.73 | — | — | |
| SCHEMBL15315272 | 0.73 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117603436-A | Polymer, modified polyurethane elastomer and preparation method thereof | 北京大学 | 2024-02-27 | — | — | CN | disclosed |
| CN-112837996-B | Preparation method of thin-layer two-dimensional material | 上海应用技术大学 | 2022-10-14 | — | — | CN | disclosed |
| EP-1489112-A2 | Polymerisation process | SOLVAY POLYOLEFINS EUROPE - BELGIUM (Société Anonyme) (BE) | 2004-12-22 | — | — | EP | disclosed |