⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7196898 | 0.64 | — | — | |
| SCHEMBL486040 | 0.61 | TLR4 (0.35) | — | |
| SCHEMBL9715360 | 0.60 | TLR4 (0.31) | — | |
| SCHEMBL5880908 | 0.59 | — | — | |
| SCHEMBL25381783 | 0.56 | TLR4 (0.33) | — | |
| SCHEMBL7170809 | 0.55 | — | — | |
| SCHEMBL8466436 | 0.52 | KDM1A (0.36) | — | |
| SCHEMBL9860256 | 0.52 | — | — | |
| SCHEMBL4018683 | 0.52 | — | — | |
| SCHEMBL27892307 | 0.52 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-116670188-A | Polyolefin-based ionomers and preparation thereof | 埃克森美孚化学专利公司 | 2023-08-29 | — | — | CN | disclosed |