⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2896087 | 0.76 | CA5A (0.42) | — | |
| SCHEMBL5453660 | 0.73 | CA5A (0.39) | — | |
| SCHEMBL7787751 | 0.73 | CA5A (0.39) | — | |
| Ammonia Solution, Strong SCHEMBL7567432 | 0.73 | CA5A (0.39) | — | |
| SCHEMBL28486849 | 0.73 | CA5A (0.39) | — | |
| Ammonia Solution, Strong SCHEMBL11225196 | 0.73 | CA5A (0.39) | — | |
| SCHEMBL6890356 | 0.70 | CA5A (0.46) | — | |
| Sulfuric Acid SCHEMBL21356585 | 0.67 | — | — | |
| Sulfuric Acid SCHEMBL3699224 | 0.65 | CA5A (1.00) | — | |
| Sulfuric Acid SCHEMBL8532128 | 0.65 | CA5A (1.00) | — |
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-116284671-B | Heparin-like polyurethane with self-repairing performance and preparation method and application thereof | 苏州心锐医疗科技有限公司 | 2023-08-08 | — | — | CN | claimed |
| CN-116284671-A | Heparin-like polyurethane with self-repairing performance and preparation method and application thereof | 苏州心锐医疗科技有限公司 | 2023-06-23 | — | — | CN | claimed |