⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28075809 | 0.67 | — | — | |
| SCHEMBL2142832 | 0.64 | — | — | |
| SCHEMBL5162202 | 0.63 | — | — | |
| SCHEMBL3362487 | 0.61 | — | — | |
| SCHEMBL6579153 | 0.61 | — | — | |
| SCHEMBL4239080 | 0.59 | — | — | |
| SCHEMBL11550488 | 0.59 | — | — | |
| SCHEMBL3860968 | 0.58 | — | — | |
| SCHEMBL10891865 | 0.57 | — | — | |
| SCHEMBL9150668 | 0.57 | ALDH1A1 (0.33) | — |
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-110078929-A | Using polyacetals as the brush polymer of main chain and its synthetic method and application | 华东师范大学 | 2019-08-02 | — | — | CN | disclosed |
| CN-109310885-A | NaPi2b targeting antibodies-drug conjugate and its application method | 梅尔莎纳医疗公司 | 2019-02-05 | — | — | CN | disclosed |