⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL616019 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL28869240 | 0.82 | — | — | |
| Glycolic Acid SCHEMBL4604628 | 0.71 | GSK3A (0.30) | — | |
| SCHEMBL3489038 | 0.69 | — | — | |
| Benzoquinone SCHEMBL9280285 | 0.67 | TDP1 (0.67) | — | |
| SCHEMBL9141080 | 0.65 | — | — | |
| SCHEMBL699281 | 0.65 | — | — | |
| SCHEMBL8762698 | 0.63 | — | — | |
| SCHEMBL1404159 | 0.61 | — | — | |
| SCHEMBL4648975 | 0.60 | GSK3A (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111499886-B | Structural color granular gel and preparation method thereof | 南京工业大学 | 2022-12-09 | — | — | CN | disclosed |
| CN-111499886-A | Structural color granular gel and preparation method thereof | 南京工业大学 | 2020-08-07 | — | — | CN | disclosed |