⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28321908 | 0.94 | — | — | |
| SCHEMBL28321909 | 0.76 | MEN1 (0.31) | — | |
| SCHEMBL9578555 | 0.59 | POLB (0.30) | — | |
| SCHEMBL28017349 | 0.58 | TLR4 (0.42) | — | |
| SCHEMBL1536110 | 0.56 | ALDH1A1 (0.33) | — | |
| SCHEMBL19497326 | 0.55 | POLB (0.33) | — | |
| SCHEMBL28078648 | 0.55 | TLR4 (0.61) | — | |
| Bicarbonate SCHEMBL8652449 | 0.55 | CYP19A1 (0.36) | — | |
| SCHEMBL31506676 | 0.55 | ABAT (0.39) | — | |
| SCHEMBL11244205 | 0.55 | KDM4E (0.30) | — |
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-110170077-B | Polyion type biological lubricant and preparation method thereof | 南京理工大学 | 2021-09-28 | — | — | CN | disclosed |