⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL1459237 | 0.89 | — | — | |
| SCHEMBL14720189 | 0.74 | — | — | |
| SCHEMBL473159 | 0.71 | MAOA (0.32) | — | |
| SCHEMBL722604 | 0.71 | — | — | |
| SCHEMBL174718 | 0.70 | — | — | |
| SCHEMBL5916338 | 0.69 | — | — | |
| SCHEMBL8717044 | 0.69 | ALDH1A1 (0.31) | — | |
| SCHEMBL3076219 | 0.69 | — | — | |
| SCHEMBL4797006 | 0.67 | PABPC1 (0.33) | — | |
| SCHEMBL9984080 | 0.66 | — | — |
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-117164446-A | Photocatalytic oxidative degradation method for polymer containing styrene structural unit | 大连理工大学 | 2023-12-05 | — | — | CN | claimed |
| CN-117164446-A | Photocatalytic oxidative degradation method for polymer containing styrene structural unit | 大连理工大学 | 2023-12-05 | — | — | CN | disclosed |