⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1142709 | 0.67 | ALOX15 (0.32) | — | |
| SCHEMBL7879150 | 0.67 | — | — | |
| SCHEMBL5162205 | 0.67 | ALDH1A1 (0.33) | — | |
| SCHEMBL31488173 | 0.65 | — | — | |
| SCHEMBL11694013 | 0.65 | — | — | |
| SCHEMBL30215689 | 0.62 | — | — | |
| SCHEMBL12158265 | 0.61 | — | — | |
| SCHEMBL24476079 | 0.60 | — | — | |
| SCHEMBL6394238 | 0.59 | ALDH1A1 (0.33) | — | |
| SCHEMBL434773 | 0.59 | MEN1 (0.39) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102712787-B | Based on acetal compound for polyolefinic nucleator | 瑞来斯实业公司 | 2016-08-17 | — | — | CN | disclosed |