⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4290490 | 0.81 | — | — | |
| SCHEMBL4948143 | 0.81 | — | — | |
| SCHEMBL1155750 | 0.79 | — | — | |
| SCHEMBL5889148 | 0.79 | ALDH1A1 (0.36) | — | |
| SCHEMBL28573035 | 0.77 | ALDH1A1 (0.40) | — | |
| SCHEMBL29963834 | 0.77 | ALDH1A1 (0.47) | — | |
| SCHEMBL28445979 | 0.77 | ALDH1A1 (0.40) | — | |
| Fluoride SCHEMBL4290491 | 0.77 | ALDH1A1 (0.40) | — | |
| SCHEMBL10838382 | 0.74 | ALDH1A1 (0.38) | — | |
| SCHEMBL5146932 | 0.74 | — | — |
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-112352006-A | Method for producing a mixture of polymers | 索尔维特殊聚合物意大利有限公司 | 2021-02-09 | — | — | CN | disclosed |
| CN-112352007-A | Method for producing a mixture of polymers | 索尔维特殊聚合物意大利有限公司 | 2021-02-09 | — | — | CN | disclosed |